data_2lcv_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 2lcv _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 ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.4 p -140.27 145.89 37.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.882 0.373 . . . . 0.0 110.526 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -51.47 -33.74 32.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -65.0 -44.12 90.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.631 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 65.8 t0 -59.65 -37.14 77.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.169 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.56 -42.34 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.377 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -52.05 -40.91 61.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.191 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.49 -43.46 98.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.323 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -62.2 -41.69 98.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.774 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.39 4.24 53.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.332 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' ALA . 99.0 mttt 43.74 43.71 5.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.009 0.433 . . . . 0.0 110.592 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 22' ' ' SER . 46.6 t -68.91 -77.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.491 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.4 t 167.36 139.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.647 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.7 p -67.53 -28.02 67.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.654 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.43 -40.15 36.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.492 ' HG1' ' H ' ' A' ' 26' ' ' VAL . 11.0 p -56.98 -64.46 0.87 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.058 -178.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.492 ' H ' ' HG1' ' A' ' 25' ' ' THR . 39.2 t -61.34 -26.61 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.324 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 t -71.74 -44.21 64.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.855 0.36 . . . . 0.0 110.956 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' MET . 96.2 mtt-85 -83.91 -18.67 36.6 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.3 -47.3 36.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.982 0.42 . . . . 0.0 110.474 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 4.3 mm? -73.57 -7.65 52.77 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.397 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' ARG . 86.9 mtp -102.92 -50.97 3.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.988 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.528 ' C ' HD21 ' A' ' 32' ' ' ASN . 0.2 OUTLIER -168.81 88.76 0.63 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.712 -179.763 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.67 121.36 9.91 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.673 2.248 . . . . 0.0 112.179 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 60.4 t0 -173.76 20.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.936 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -129.47 -4.24 4.81 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.418 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 t -91.39 126.38 44.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.981 0.42 . . . . 0.0 110.309 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 41' ' ' ARG . 37.0 t -66.84 147.46 53.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.407 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -49.29 -47.92 46.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.381 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.89 -53.03 60.47 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.142 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.2 m -65.51 -22.04 66.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 37' ' ' SER . 44.2 ttm180 -69.4 -43.06 74.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.546 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -69.13 -39.8 78.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.04 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 85.5 mmt-85 -65.65 -42.39 91.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.468 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' ALA . 46.3 t -63.03 -47.67 91.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.223 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -52.08 -45.26 64.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.12 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -69.95 -39.6 75.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.45 -23.9 61.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.766 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' VAL . . . -69.72 -36.88 76.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.624 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -70.41 -41.01 73.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.673 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -51.43 -45.03 62.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.701 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 53' ' ' TYR . 19.6 m -75.45 -6.98 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.502 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.07 -19.28 10.37 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.408 ' H ' HG22 ' A' ' 51' ' ' VAL . 90.9 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.263 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.898 0.38 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 m -143.1 148.18 36.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.617 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.5 mtp -54.02 -36.24 62.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.337 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -61.87 -47.82 83.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 110.371 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -58.54 -39.49 80.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.359 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.7 t -58.37 -42.92 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.455 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -52.78 -39.49 62.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.32 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.8 tp -61.39 -43.97 97.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.88 -40.38 91.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.469 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -95.85 10.71 36.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 16' ' ' ALA . 21.0 pttp 33.55 45.22 0.09 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.838 0.352 . . . . 0.0 111.026 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.8 t -68.44 -77.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.185 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t 170.25 133.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.477 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.461 ' O ' ' OG ' ' A' ' 27' ' ' SER . 23.7 m -65.06 -29.04 69.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.28 -43.07 34.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.575 ' HG1' ' H ' ' A' ' 26' ' ' VAL . 28.6 p -56.87 -64.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.535 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.575 ' H ' ' HG1' ' A' ' 25' ' ' THR . 47.7 t -57.96 -30.66 39.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.632 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' A' ' 23' ' ' THR . 27.4 m -71.52 -42.28 68.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.789 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -82.59 -19.18 38.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.71 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' A' ' 31' ' ' MET . . . -48.83 -49.84 37.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.639 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.5 mt -55.74 -5.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.56 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.522 ' H ' ' C ' ' A' ' 29' ' ' ALA . 79.6 mmm -122.24 -39.73 2.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.646 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -151.82 84.72 4.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.576 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -80.15 70.22 7.61 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.771 2.314 . . . . 0.0 112.218 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.8 p30 -150.91 15.61 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -100.53 -11.13 20.37 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.405 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t -75.0 141.67 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.533 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 41' ' ' ARG . 42.3 t -62.68 145.72 53.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.548 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -47.46 -49.87 24.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.499 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.26 -53.5 54.28 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.308 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.3 m -65.14 -21.67 66.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.473 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 37' ' ' SER . 61.8 ttp180 -68.73 -42.04 78.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.495 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -72.56 -41.26 65.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.542 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -61.37 -50.34 73.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.417 HG11 ' O ' ' A' ' 41' ' ' ARG . 10.8 p -59.23 -43.68 90.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.505 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -51.66 -46.08 63.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.247 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -68.72 -37.01 79.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.77 -21.92 60.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.655 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.92 -38.01 79.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.599 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -70.2 -37.94 75.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.22 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -54.1 -44.26 71.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.694 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 53' ' ' TYR . 30.5 m -77.03 -0.45 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.761 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.11 24.88 45.17 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.43 ' H ' HG22 ' A' ' 51' ' ' VAL . 39.9 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.41 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.883 0.373 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 m -142.74 147.51 35.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.608 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 93.5 mmm -51.12 -36.51 40.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.364 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.62 -43.3 97.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.806 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -61.76 -35.46 78.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.375 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.56 -43.74 95.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.472 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.0 -42.3 62.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.401 ' O ' ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -63.58 -43.15 97.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.248 179.604 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -64.75 -39.9 94.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.509 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.97 3.0 56.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.747 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.7 mttm 43.12 42.07 3.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.724 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' SER . 15.8 t -68.89 -75.65 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.59 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.743 ' HG ' ' H ' ' A' ' 25' ' ' THR . 1.5 t 167.44 138.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.56 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.446 ' O ' ' OG ' ' A' ' 27' ' ' SER . 20.8 m -63.62 -28.41 69.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.406 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.79 -40.97 38.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.743 ' H ' ' HG ' ' A' ' 22' ' ' SER . 9.7 p -58.01 -64.21 0.99 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.73 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.667 ' H ' ' HG1' ' A' ' 25' ' ' THR . 9.9 p -54.51 -30.62 21.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.261 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 23' ' ' THR . 39.4 m -68.07 -40.21 82.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.735 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.481 HH21 ' CG2' ' A' ' 25' ' ' THR . 87.5 mtm180 -67.01 -35.76 80.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.77 -19.16 0.09 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.522 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 28' ' ' ARG . 68.5 mt -94.15 -28.34 15.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' ARG . 66.9 mtt -95.71 -42.52 8.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.024 0.44 . . . . 0.0 110.674 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -136.58 159.02 72.1 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.576 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -42.53 159.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.662 2.241 . . . . 0.0 111.959 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.575 ' C ' ' H ' ' A' ' 36' ' ' VAL . 47.1 p-10 -78.24 72.22 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.504 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -71.79 29.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.575 ' H ' ' C ' ' A' ' 34' ' ' ASP . 16.6 m -64.55 177.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.49 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.4 m -64.79 146.7 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -48.61 -46.65 39.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.409 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.07 -53.88 46.78 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.598 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.0 m -63.93 -24.27 67.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.113 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 37' ' ' SER . 72.3 ttt180 -65.4 -45.36 84.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.751 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.38 -41.26 80.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -62.92 -44.61 95.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.641 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.42 -48.94 86.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.666 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -51.36 -49.95 60.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.497 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -70.67 -40.19 73.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.91 -24.42 67.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.717 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.04 94.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.745 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -71.18 -36.63 72.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.689 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -60.15 -45.29 93.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.627 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.29 -17.99 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.684 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.38 41.52 93.22 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.9 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.53 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.075 0 CA-C-O 120.815 0.34 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 m -64.18 144.59 57.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.46 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.6 ttt -57.87 -27.69 63.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -63.09 -40.78 98.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.406 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.62 -35.31 79.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.033 0.445 . . . . 0.0 110.652 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.15 -43.78 93.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.604 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -53.89 -40.11 66.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.463 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.54 -44.15 97.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.492 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.92 -35.78 81.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.09 0.471 . . . . 0.0 110.681 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.19 8.18 45.06 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.705 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' ALA . 30.2 ttpt 40.34 46.31 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.944 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.408 ' O ' ' CB ' ' A' ' 22' ' ' SER . 38.5 t -68.75 -78.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.56 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.443 ' O ' ' OG1' ' A' ' 25' ' ' THR . 1.1 m 168.05 131.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.459 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.4 m -61.17 -28.38 69.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.779 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.51 -41.9 37.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ALA . 18.0 p -57.38 -64.43 0.89 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.265 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.96 -32.31 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.732 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.3 t -70.68 -40.9 72.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.297 0.57 . . . . 0.0 111.43 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -85.99 -20.74 28.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.426 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -60.65 -19.91 59.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.941 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mp -47.07 -46.55 22.57 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.631 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 32' ' ' ASN . 62.4 mtt -122.43 -63.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.489 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 31' ' ' MET . 1.8 m120 -37.26 157.49 0.08 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.609 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.4 -157.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.297 -2.172 0 C-N-CA 122.762 2.308 . . . . 0.0 112.163 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -101.99 72.46 1.33 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -66.96 -1.11 3.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.545 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.61 145.97 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.376 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 41' ' ' ARG . 39.2 t -55.2 142.74 30.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -46.87 -49.85 19.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.411 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.6 -53.57 52.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.441 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.6 m -65.24 -21.0 66.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.981 0.42 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.554 ' N ' ' O ' ' A' ' 37' ' ' SER . 74.2 ttp85 -69.87 -42.67 73.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.86 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -68.14 -37.17 80.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.638 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -65.04 -42.86 93.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.412 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.23 -47.03 95.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -52.09 -49.4 63.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.015 0.436 . . . . 0.0 110.863 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.08 -37.04 72.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.017 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.29 -20.81 63.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.775 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.19 -41.51 66.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.747 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -67.49 -41.05 85.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.497 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -52.33 -43.25 64.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.353 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.47 HG22 ' H ' ' A' ' 53' ' ' TYR . 29.0 m -87.13 -2.0 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.551 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 41.76 27.7 0.36 Allowed Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.47 ' H ' HG22 ' A' ' 51' ' ' VAL . 75.5 t80 . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.24 0.543 . . . . 0.0 110.188 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 120.683 0.278 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.7 p -141.3 148.76 40.29 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.511 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 63.5 ttp -53.77 -37.2 63.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.343 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -63.58 -40.73 97.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.362 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -64.38 -35.38 80.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.244 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.4 t -61.63 -43.66 97.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.902 0.382 . . . . 0.0 110.446 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -52.78 -36.32 58.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.446 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.43 -42.34 91.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.971 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -64.82 -34.31 78.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.45 1.74 49.52 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.528 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 16' ' ' ALA . 99.5 mttt 44.28 50.36 7.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' ' CB ' ' A' ' 22' ' ' SER . 21.5 t -69.85 -81.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.475 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' ' OG1' ' A' ' 25' ' ' THR . 1.5 t 166.61 136.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 p -63.95 -26.35 68.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.496 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.5 -41.65 38.61 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.145 0.498 . . . . 0.0 111.113 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.508 ' HG1' ' H ' ' A' ' 26' ' ' VAL . 16.2 p -56.9 -63.66 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.601 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.508 ' H ' ' HG1' ' A' ' 25' ' ' THR . 34.5 t -59.95 -31.82 48.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.416 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.0 t -68.61 -43.06 77.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.975 0.417 . . . . 0.0 110.789 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -82.72 -17.66 43.57 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.25 -17.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD1' ' N ' ' A' ' 30' ' ' LEU . 9.9 mp -89.52 -8.65 52.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.849 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.502 ' N ' ' SD ' ' A' ' 31' ' ' MET . 1.1 mpt? -123.02 -38.74 2.57 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.809 0.338 . . . . 0.0 111.177 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -153.57 84.59 4.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.654 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.42 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 69.4 Cg_endo -80.08 73.86 5.82 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.717 2.278 . . . . 0.0 112.37 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 33' ' ' PRO . 80.1 m-20 -146.1 9.63 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.956 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -89.86 -26.32 20.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.78 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.76 140.69 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.188 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 41' ' ' ARG . 42.2 t -64.19 146.68 53.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.391 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 39' ' ' ALA . 24.1 pt20 -49.57 -43.97 46.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.421 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.444 ' N ' ' CG ' ' A' ' 38' ' ' GLN . . . -66.16 -53.8 33.14 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.414 -0.514 . . . . 0.0 109.932 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.7 m -64.44 -22.6 67.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.301 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 37' ' ' SER . 61.7 ttp180 -69.16 -42.56 75.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.55 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -66.26 -37.53 85.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.809 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -64.96 -42.96 94.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.455 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.3 -48.14 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.427 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -53.06 -48.16 67.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.476 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -69.3 -40.3 77.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -21.95 66.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.778 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.7 97.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.031 0.443 . . . . 0.0 110.707 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -75.45 -38.46 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.619 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -61.8 -46.45 89.47 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.77 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 p -73.82 -23.5 19.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.809 0.338 . . . . 0.0 110.31 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 51.52 59.13 8.81 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.7 t80 . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 121.123 0.487 . . . . 0.0 110.207 179.683 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 120.756 0.312 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 13' ' ' LYS . 99.3 m -145.0 162.28 37.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.247 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.423 ' N ' ' CG2' ' A' ' 11' ' ' THR . 90.5 mtp -55.6 -40.23 71.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.677 -179.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 53.0 pttt -61.51 -42.31 98.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.065 0.46 . . . . 0.0 110.174 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.457 ' N ' ' CG ' ' A' ' 13' ' ' LYS . 92.8 m-20 -62.32 -36.47 82.27 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.615 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.82 -41.86 90.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.375 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -51.8 -40.78 61.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.18 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.34 -42.89 87.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.057 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -76.43 -52.68 9.38 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.004 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.88 -13.13 61.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.094 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' ALA . 78.5 tttt 48.97 49.13 19.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.712 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 t -83.04 -79.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.463 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.445 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.3 OUTLIER 172.21 130.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.225 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -52.15 -39.17 59.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.631 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.94 -42.57 66.49 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.822 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 22' ' ' SER . 25.1 p -57.43 -63.11 1.34 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.445 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.97 -38.62 77.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.578 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -59.62 -44.26 93.51 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.766 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -79.65 -18.34 51.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.819 0.342 . . . . 0.0 110.792 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.68 -19.93 59.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.045 0.45 . . . . 0.0 110.913 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.47 -39.5 87.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.409 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.8 mtt -110.16 -17.96 13.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.675 0.274 . . . . 0.0 110.604 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -139.88 75.41 30.38 Favored Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -78.93 59.2 7.26 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.844 2.363 . . . . 0.0 112.033 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -154.6 23.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -113.89 27.55 9.44 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -119.27 158.51 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.276 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' ARG . 16.8 m -58.32 151.7 19.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.384 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -52.77 -43.55 65.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.04 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.29 -53.66 45.46 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.016 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.4 m -63.95 -22.25 66.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.443 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' SER . 75.3 ttt180 -65.79 -45.56 82.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.277 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -66.35 -41.35 89.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.981 0.419 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.48 -41.98 98.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.437 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.8 t -61.78 -48.19 89.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.925 0.393 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -50.97 -51.53 51.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.003 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -68.21 -40.35 82.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.41 -23.05 35.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.39 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.73 87.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.122 0.487 . . . . 0.0 110.705 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -75.72 -39.69 56.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.82 -43.58 83.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.191 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p -73.32 -27.65 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.343 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.27 -32.44 4.69 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.5 t80 . . . . . 0 CA--C 1.512 -0.49 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.653 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.819 0.342 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.8 p -140.29 148.67 41.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.606 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 53' ' ' TYR . 69.4 mtm -53.22 -34.14 55.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.393 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -63.94 -44.42 92.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.464 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -61.94 -35.91 79.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.988 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.14 -43.17 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.452 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -51.34 -39.58 57.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.182 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.29 -42.74 99.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.462 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.35 -41.44 76.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -88.62 0.94 55.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.638 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 16' ' ' ALA . 47.4 tttp 39.51 30.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.16 0.505 . . . . 0.0 110.655 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.41 ' C ' ' OG ' ' A' ' 22' ' ' SER . 37.9 t -69.48 -76.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.283 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.423 ' OG ' ' OG1' ' A' ' 25' ' ' THR . 0.0 OUTLIER 176.07 124.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.538 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.461 ' O ' ' OG ' ' A' ' 27' ' ' SER . 73.1 m -61.87 -29.0 69.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.503 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.16 -47.44 20.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.128 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.516 ' HG1' ' H ' ' A' ' 26' ' ' VAL . 32.4 p -57.72 -63.68 1.16 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.995 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.516 ' H ' ' HG1' ' A' ' 25' ' ' THR . 37.9 t -52.42 -35.94 20.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.165 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' A' ' 23' ' ' THR . 18.3 m -65.89 -37.94 87.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.703 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.53 ' O ' ' N ' ' A' ' 32' ' ' ASN . 79.4 mtp85 -83.63 -16.67 44.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.016 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.17 -27.58 2.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.015 0.436 . . . . 0.0 110.484 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 3.7 mm? -91.28 -5.68 54.33 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.132 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' ARG . 4.2 mmt -122.49 -56.53 1.79 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 28' ' ' ARG . 5.3 m120 -129.76 76.3 78.57 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.514 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -78.66 55.06 5.35 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.855 2.37 . . . . 0.0 112.038 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -130.81 5.3 4.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.601 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -99.32 -12.35 20.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.528 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.9 m -80.55 134.59 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.545 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 41' ' ' ARG . 38.0 t -63.67 154.66 32.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.575 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -47.44 -48.61 26.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.331 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.1 53.07 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.498 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.9 m -63.71 -22.52 66.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.286 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 37' ' ' SER . 41.8 ttm180 -68.85 -42.09 77.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.79 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.76 -40.18 79.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -63.37 -44.61 94.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.532 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.94 -48.47 88.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.499 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -51.77 -48.99 63.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.263 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -70.79 -38.93 73.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.597 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.07 -21.04 60.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.669 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.35 -46.53 73.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.09 0.471 . . . . 0.0 110.764 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 -75.16 -36.31 61.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.11 -45.25 89.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.856 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.8 p -73.16 -17.63 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.47 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.07 50.31 18.27 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.598 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 55.7 t80 . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.761 0.315 . . . . 0.0 110.267 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.987 0.422 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.4 p -142.98 149.66 38.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.637 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 53' ' ' TYR . 85.7 mmm -52.68 -39.17 61.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -64.34 -45.36 88.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 110.779 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 66.8 t0 -61.8 -35.63 78.77 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.105 0.479 . . . . 0.0 110.664 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.65 -43.73 91.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.746 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.65 -39.91 74.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.382 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -48.84 56.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.161 0.505 . . . . 0.0 110.708 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.83 -33.18 74.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.569 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.73 4.2 47.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.517 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt 42.93 41.54 2.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.623 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.0 -78.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.548 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.49 134.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.606 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -67.29 -26.69 66.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.71 -44.27 21.12 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.729 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.515 ' HG1' ' H ' ' A' ' 26' ' ' VAL . 14.7 p -54.45 -62.85 1.39 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.817 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.515 ' H ' ' HG1' ' A' ' 25' ' ' THR . 8.8 p -51.27 -26.46 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.593 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -74.2 -32.34 63.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.619 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -81.36 -19.01 43.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.579 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.32 -17.96 2.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.994 0.425 . . . . 0.0 110.825 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' A' ' 30' ' ' LEU . 10.3 mp -85.64 -10.46 55.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.408 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 67.3 mtm -124.65 -36.2 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.766 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 31' ' ' MET . 9.6 m120 -167.69 96.62 0.62 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.463 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.651 ' C ' ' H ' ' A' ' 35' ' ' LYS . 58.3 Cg_endo -76.54 -22.57 12.09 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.928 2.418 . . . . 0.0 112.191 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -66.62 27.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.604 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.651 ' H ' ' C ' ' A' ' 33' ' ' PRO . 97.3 mttt -109.92 11.32 24.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.607 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -97.95 149.53 5.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.408 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' ARG . 36.2 t -58.62 151.48 20.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.713 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -50.3 -45.58 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.242 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.459 ' O ' ' OD1' ' A' ' 42' ' ' ASN . . . -61.85 -52.98 61.94 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.088 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.5 m -66.04 -21.01 66.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.091 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 37' ' ' SER . 60.3 ttt85 -67.03 -47.86 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.548 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.469 ' ND2' ' N ' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -67.21 -38.33 85.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.444 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.469 ' N ' ' ND2' ' A' ' 42' ' ' ASN . 35.3 mmt180 -63.92 -41.08 97.76 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.438 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.8 t -61.93 -45.83 97.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.4 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -50.99 -51.01 57.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.229 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -69.08 -40.04 78.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.979 0.419 . . . . 0.0 110.676 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -20.62 66.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.766 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.56 -40.3 70.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.686 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -68.85 -40.6 79.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.364 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.78 -51.42 70.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.777 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.477 HG11 ' H ' ' A' ' 53' ' ' TYR . 6.2 p -78.47 -14.46 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.592 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.37 32.92 1.93 Allowed Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.493 ' O ' ' SD ' ' A' ' 12' ' ' MET . 22.3 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.06 0.457 . . . . 0.0 110.159 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.638 0.256 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 m -143.2 147.59 35.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.382 . . . . 0.0 110.489 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.8 tpp -54.03 -35.0 61.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.336 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -64.33 -42.3 96.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.63 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.27 -34.15 76.01 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.03 -44.43 98.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.607 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.76 -41.05 66.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.071 0.462 . . . . 0.0 110.284 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.423 ' C ' ' CD2' ' A' ' 17' ' ' LEU . 8.3 tt -62.25 -46.72 87.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.365 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -66.11 -39.11 89.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.776 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.15 -3.87 58.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.455 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.7 tttp 46.66 43.67 12.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.603 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.4 -75.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.45 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' ' OG1' ' A' ' 25' ' ' THR . 1.4 t 168.77 140.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.503 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 t -64.23 -32.09 73.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.751 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' O ' ' OG ' ' A' ' 27' ' ' SER . . . -75.05 -40.45 60.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 29' ' ' ALA . 15.3 p -58.02 -64.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.423 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.454 ' H ' ' HG1' ' A' ' 25' ' ' THR . 9.9 p -52.25 -30.68 13.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.852 0.358 . . . . 0.0 110.601 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.511 ' HG ' ' N ' ' A' ' 28' ' ' ARG . 58.9 p -78.65 -39.15 37.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.511 ' N ' ' HG ' ' A' ' 27' ' ' SER . 79.6 mtp85 -83.73 -18.64 37.21 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -48.69 -51.42 28.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.597 -178.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.0 mt -70.8 -9.96 58.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.63 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.4 mtt -97.04 -52.08 3.99 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.73 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -109.29 170.24 5.6 Favored Pre-proline 0 C--O 1.234 0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.752 -179.508 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 32' ' ' ASN . 43.2 Cg_exo -55.64 -137.91 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.636 2.224 . . . . 0.0 112.086 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -87.15 71.87 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.569 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -66.2 -10.38 41.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.997 0.427 . . . . 0.0 110.55 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 m -76.34 156.32 5.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.031 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' ARG . 74.3 m -70.45 157.03 38.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.771 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -51.36 -41.44 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.002 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.22 -53.75 50.81 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.874 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.1 m -65.43 -22.73 66.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.027 0.442 . . . . 0.0 110.156 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 37' ' ' SER . 2.7 tpm_? -64.64 -49.65 70.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.368 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.83 -41.01 88.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.127 0.489 . . . . 0.0 110.894 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -62.43 -44.27 96.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.43 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.3 t -60.83 -46.85 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.479 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -51.73 -51.8 53.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -70.14 -42.15 72.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.613 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.87 -23.8 67.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.683 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.34 -40.11 81.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.995 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -69.08 -40.11 78.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.1 -49.26 78.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.756 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.3 m -77.01 -16.6 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.596 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.37 46.19 11.37 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.5 t80 . . . . . 0 C--N 1.327 -0.375 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 -179.732 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.991 0.424 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.6 p -142.02 149.5 40.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.647 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 97.9 mmm -53.15 -34.9 58.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.483 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.06 -43.6 91.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.742 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -61.35 -36.33 79.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.98 -41.8 90.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.615 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.83 -46.42 60.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 mt -64.38 -39.99 94.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.61 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -61.79 -38.11 86.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.404 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.39 13.52 34.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.569 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.6 tttt 42.36 47.62 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.665 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 22' ' ' SER . 62.8 t -78.43 -81.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.717 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER 164.72 138.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.335 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.461 ' O ' ' OG ' ' A' ' 27' ' ' SER . 20.2 p -72.72 -22.91 60.81 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.79 -58.01 3.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.45 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.597 ' CG2' ' H ' ' A' ' 26' ' ' VAL . 10.6 t -57.39 -56.69 18.61 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.832 0.707 . . . . 0.0 109.746 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.597 ' H ' ' CG2' ' A' ' 25' ' ' THR . 10.0 p -54.23 -33.04 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.175 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' A' ' 23' ' ' THR . 13.6 m -71.63 -33.09 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.708 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -83.23 -22.19 33.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.649 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.8 -19.56 65.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.563 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -56.71 -40.09 75.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.468 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 31' ' ' MET . 3.2 ppp? -121.21 -15.2 8.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.615 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.71 73.65 80.92 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.957 0.408 . . . . 0.0 110.465 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.441 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 63.8 Cg_endo -79.69 55.93 5.84 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.79 2.327 . . . . 0.0 112.171 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 33' ' ' PRO . 99.9 m-20 -140.22 6.89 2.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.904 0.383 . . . . 0.0 110.513 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -101.49 -21.21 14.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.694 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.43 139.83 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.487 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 41' ' ' ARG . 41.9 t -60.74 148.04 40.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.534 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -47.1 -50.51 19.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.466 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.42 -53.75 47.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.1 m -63.35 -22.22 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.555 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 37' ' ' SER . 74.6 ttt-85 -69.55 -40.88 76.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -72.69 -42.77 63.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.02 0.438 . . . . 0.0 110.63 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -58.84 -51.5 69.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.055 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -59.88 -44.03 93.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -51.33 -50.74 58.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.368 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -71.91 -39.06 69.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.933 0.397 . . . . 0.0 110.945 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 -22.04 66.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.629 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.93 -42.05 81.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.764 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -65.78 -40.72 92.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.488 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -55.73 -49.36 73.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.1 m -75.86 -15.97 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.779 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.51 40.86 40.34 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.3 t80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.947 0.403 . . . . 0.0 110.314 -179.857 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.762 0.315 . . . . 122.01 110.455 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.94 149.14 44.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 295.63 110.456 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.8 mmm -50.91 -36.23 37.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 609.28 110.629 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -65.31 -41.38 94.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 642.78 110.617 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.04 -39.08 80.87 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.723 -0.391 . . . . 290.03 110.1 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.35 -41.32 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.386 -0.37 . . . . 115.73 110.811 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.91 -45.02 50.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.268 -0.424 . . . . 102.81 110.159 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -65.5 -40.36 92.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 372.84 110.417 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -66.99 -37.66 84.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.232 -0.44 . . . . 832.2 110.998 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -98.0 15.8 22.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.399 . . . . 131.49 110.219 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' ALA . 7.0 mttt 35.73 44.43 0.22 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.653 -0.703 . . . . 947.44 110.428 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 22' ' ' SER . 63.5 t -71.0 -82.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.454 . . . . 137.64 110.287 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.447 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER 167.46 131.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 216.84 110.243 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -28.54 68.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.926 -0.579 . . . . 307.25 111.35 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.89 -45.27 24.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.172 0.511 . . . . 83.99 110.441 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.686 ' HG1' ' H ' ' A' ' 26' ' ' VAL . 14.7 p -54.75 -58.11 8.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.551 -0.75 . . . . 181.74 110.314 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.686 ' H ' ' HG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER -59.06 -33.22 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.123 -0.49 . . . . 379.73 110.78 -179.59 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -71.24 -38.21 71.94 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.884 0.374 . . . . 340.2 110.341 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.474 HH21 ' HE3' ' A' ' 35' ' ' LYS . 59.2 mtp85 -84.48 -19.3 33.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.777 -0.647 . . . . 999.99 110.259 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.65 -18.66 4.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.041 -0.527 . . . . 168.78 110.666 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.09 -8.35 55.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 651.44 110.397 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 38.7 mtt -121.97 -40.59 2.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.172 -0.467 . . . . 719.24 110.466 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -134.16 78.63 58.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.807 -0.633 . . . . 656.99 110.144 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.48 54.94 3.52 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.4 2.067 . . . . 710.96 111.849 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.48 23.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 999.99 110.842 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.474 ' HE3' HH21 ' A' ' 28' ' ' ARG . 18.7 mttm -111.62 8.39 20.84 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.54 -0.3 . . . . 855.54 110.439 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -93.42 143.4 11.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 110.046 -0.353 . . . . 296.26 110.046 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 41' ' ' ARG . 8.5 t -57.57 144.19 38.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 215.35 110.127 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -48.25 -50.14 30.77 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.739 -0.385 . . . . 764.66 110.339 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.61 -54.63 40.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 138.59 110.111 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.0 m -63.16 -25.04 68.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.762 -0.654 . . . . 119.38 110.831 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 37' ' ' SER . 79.7 ttt180 -67.87 -43.33 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.964 0.412 . . . . 999.99 110.336 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.69 -36.52 84.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 589.11 110.421 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -67.86 -49.15 63.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 812.21 110.296 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.4 t -52.71 -51.53 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 281.31 110.495 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -50.38 -49.79 53.35 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.561 -0.456 . . . . 529.96 110.487 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -71.78 -40.02 69.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.813 0.339 . . . . 775.4 110.824 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.58 -26.38 68.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.255 -0.429 . . . . 107.88 111.118 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.31 -36.69 82.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.005 0.431 . . . . 133.56 110.387 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -74.6 -41.2 60.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.955 -0.566 . . . . 999.99 110.764 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -55.7 -42.02 74.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 358.91 110.786 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.547 HG22 ' H ' ' A' ' 53' ' ' TYR . 19.5 m -76.66 -18.86 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.529 . . . . 341.64 110.158 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.42 11.53 53.06 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.843 -0.903 . . . . 67.89 110.843 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.547 ' H ' HG22 ' A' ' 51' ' ' VAL . 65.3 t80 . . . . . 0 C--N 1.324 -0.517 0 N-CA-C 110.016 -0.365 . . . . 735.96 110.016 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.85 177.67 8.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.238 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.4 p -140.27 145.89 37.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.882 0.373 . . . . 0.0 110.526 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -51.47 -33.74 32.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -65.0 -44.12 90.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.631 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 65.8 t0 -59.65 -37.14 77.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.169 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.56 -42.34 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.377 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -52.05 -40.91 61.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.191 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.49 -43.46 98.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.323 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -62.2 -41.69 98.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.774 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.39 4.24 53.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.332 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' ALA . 99.0 mttt 43.74 43.71 5.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.009 0.433 . . . . 0.0 110.592 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 22' ' ' SER . 46.6 t -68.91 -77.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.491 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.4 t 167.36 139.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.647 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.7 p -67.53 -28.02 67.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.654 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.43 -40.15 36.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.492 ' HG1' ' H ' ' A' ' 26' ' ' VAL . 11.0 p -56.98 -64.46 0.87 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.058 -178.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.492 ' H ' ' HG1' ' A' ' 25' ' ' THR . 39.2 t -61.34 -26.61 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.324 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 t -71.74 -44.21 64.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.855 0.36 . . . . 0.0 110.956 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' MET . 96.2 mtt-85 -83.91 -18.67 36.6 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.3 -47.3 36.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.982 0.42 . . . . 0.0 110.474 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 4.3 mm? -73.57 -7.65 52.77 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.397 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' ARG . 86.9 mtp -102.92 -50.97 3.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.988 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.528 ' C ' HD21 ' A' ' 32' ' ' ASN . 0.2 OUTLIER -168.81 88.76 0.63 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.712 -179.763 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.67 121.36 9.91 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.673 2.248 . . . . 0.0 112.179 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 60.4 t0 -173.76 20.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.936 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -129.47 -4.24 4.81 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.418 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 t -91.39 126.38 44.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.981 0.42 . . . . 0.0 110.309 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 41' ' ' ARG . 37.0 t -66.84 147.46 53.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.407 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -49.29 -47.92 46.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.381 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.89 -53.03 60.47 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.142 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.2 m -65.51 -22.04 66.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 37' ' ' SER . 44.2 ttm180 -69.4 -43.06 74.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.546 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -69.13 -39.8 78.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.04 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 85.5 mmt-85 -65.65 -42.39 91.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.468 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' ALA . 46.3 t -63.03 -47.67 91.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.223 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -52.08 -45.26 64.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.12 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -69.95 -39.6 75.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.45 -23.9 61.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.766 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' VAL . . . -69.72 -36.88 76.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.624 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -70.41 -41.01 73.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.673 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -51.43 -45.03 62.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.701 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 53' ' ' TYR . 19.6 m -75.45 -6.98 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.502 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.07 -19.28 10.37 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.408 ' H ' HG22 ' A' ' 51' ' ' VAL . 90.9 m-85 -100.97 114.59 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.263 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.67 ' N ' ' CD ' ' A' ' 55' ' ' PRO . 8.8 mt -93.46 -34.29 0.32 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.494 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 54' ' ' LEU . 48.2 Cg_exo . . . . . 0 N--CA 1.494 1.545 0 C-N-CA 122.283 1.989 . . . . 0.0 111.685 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.46 171.34 11.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.307 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 m -143.1 148.18 36.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.617 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.5 mtp -54.02 -36.24 62.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.337 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -61.87 -47.82 83.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 110.371 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -58.54 -39.49 80.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.359 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.7 t -58.37 -42.92 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.455 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -52.78 -39.49 62.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.32 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.8 tp -61.39 -43.97 97.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.88 -40.38 91.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.469 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -95.85 10.71 36.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 16' ' ' ALA . 21.0 pttp 33.55 45.22 0.09 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.838 0.352 . . . . 0.0 111.026 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.8 t -68.44 -77.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.185 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t 170.25 133.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.477 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.461 ' O ' ' OG ' ' A' ' 27' ' ' SER . 23.7 m -65.06 -29.04 69.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.28 -43.07 34.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.575 ' HG1' ' H ' ' A' ' 26' ' ' VAL . 28.6 p -56.87 -64.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.535 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.575 ' H ' ' HG1' ' A' ' 25' ' ' THR . 47.7 t -57.96 -30.66 39.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.632 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' A' ' 23' ' ' THR . 27.4 m -71.52 -42.28 68.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.789 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -82.59 -19.18 38.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.71 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' A' ' 31' ' ' MET . . . -48.83 -49.84 37.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.639 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.5 mt -55.74 -5.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.56 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.522 ' H ' ' C ' ' A' ' 29' ' ' ALA . 79.6 mmm -122.24 -39.73 2.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.646 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -151.82 84.72 4.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.576 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -80.15 70.22 7.61 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.771 2.314 . . . . 0.0 112.218 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.8 p30 -150.91 15.61 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -100.53 -11.13 20.37 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.405 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t -75.0 141.67 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.533 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 41' ' ' ARG . 42.3 t -62.68 145.72 53.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.548 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -47.46 -49.87 24.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.499 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.26 -53.5 54.28 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.308 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.3 m -65.14 -21.67 66.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.473 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 37' ' ' SER . 61.8 ttp180 -68.73 -42.04 78.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.495 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -72.56 -41.26 65.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.542 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -61.37 -50.34 73.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.417 HG11 ' O ' ' A' ' 41' ' ' ARG . 10.8 p -59.23 -43.68 90.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.505 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -51.66 -46.08 63.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.247 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -68.72 -37.01 79.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.77 -21.92 60.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.655 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.92 -38.01 79.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.599 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -70.2 -37.94 75.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.22 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -54.1 -44.26 71.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.694 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 53' ' ' TYR . 30.5 m -77.03 -0.45 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.761 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.11 24.88 45.17 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.43 ' H ' HG22 ' A' ' 51' ' ' VAL . 39.9 t80 -142.55 114.92 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.41 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 pp -156.65 147.83 16.68 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.442 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo . . . . . 0 C--N 1.307 -1.63 0 C-N-CA 122.87 2.38 . . . . 0.0 112.256 179.424 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.98 179.02 7.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 m -142.74 147.51 35.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.608 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 93.5 mmm -51.12 -36.51 40.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.364 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.62 -43.3 97.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.806 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -61.76 -35.46 78.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.375 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.56 -43.74 95.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.472 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.0 -42.3 62.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.401 ' O ' ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -63.58 -43.15 97.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.248 179.604 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -64.75 -39.9 94.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.509 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.97 3.0 56.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.747 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.7 mttm 43.12 42.07 3.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.724 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' SER . 15.8 t -68.89 -75.65 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.59 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.743 ' HG ' ' H ' ' A' ' 25' ' ' THR . 1.5 t 167.44 138.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.56 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.446 ' O ' ' OG ' ' A' ' 27' ' ' SER . 20.8 m -63.62 -28.41 69.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.406 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.79 -40.97 38.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.743 ' H ' ' HG ' ' A' ' 22' ' ' SER . 9.7 p -58.01 -64.21 0.99 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.73 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.667 ' H ' ' HG1' ' A' ' 25' ' ' THR . 9.9 p -54.51 -30.62 21.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.261 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 23' ' ' THR . 39.4 m -68.07 -40.21 82.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.735 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.481 HH21 ' CG2' ' A' ' 25' ' ' THR . 87.5 mtm180 -67.01 -35.76 80.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.77 -19.16 0.09 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.522 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 28' ' ' ARG . 68.5 mt -94.15 -28.34 15.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' ARG . 66.9 mtt -95.71 -42.52 8.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.024 0.44 . . . . 0.0 110.674 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -136.58 159.02 72.1 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.576 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -42.53 159.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.662 2.241 . . . . 0.0 111.959 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.575 ' C ' ' H ' ' A' ' 36' ' ' VAL . 47.1 p-10 -78.24 72.22 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.504 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -71.79 29.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.575 ' H ' ' C ' ' A' ' 34' ' ' ASP . 16.6 m -64.55 177.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.49 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.4 m -64.79 146.7 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -48.61 -46.65 39.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.409 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.07 -53.88 46.78 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.598 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.0 m -63.93 -24.27 67.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.113 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 37' ' ' SER . 72.3 ttt180 -65.4 -45.36 84.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.751 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.38 -41.26 80.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -62.92 -44.61 95.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.641 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.42 -48.94 86.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.666 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -51.36 -49.95 60.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.497 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -70.67 -40.19 73.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.91 -24.42 67.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.717 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.04 94.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.745 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -71.18 -36.63 72.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.689 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -60.15 -45.29 93.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.627 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.29 -17.99 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.684 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.38 41.52 93.22 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -85.8 138.02 32.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.53 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.1 mt -117.5 85.16 20.11 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.612 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo . . . . . 0 C--N 1.304 -1.779 0 C-N-CA 122.848 2.365 . . . . 0.0 112.006 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.1 126.18 44.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.602 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 m -64.18 144.59 57.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.46 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.6 ttt -57.87 -27.69 63.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -63.09 -40.78 98.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.406 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.62 -35.31 79.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.033 0.445 . . . . 0.0 110.652 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.15 -43.78 93.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.604 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -53.89 -40.11 66.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.463 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.54 -44.15 97.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.492 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.92 -35.78 81.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.09 0.471 . . . . 0.0 110.681 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.19 8.18 45.06 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.705 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' ALA . 30.2 ttpt 40.34 46.31 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.944 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.408 ' O ' ' CB ' ' A' ' 22' ' ' SER . 38.5 t -68.75 -78.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.56 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.443 ' O ' ' OG1' ' A' ' 25' ' ' THR . 1.1 m 168.05 131.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.459 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.4 m -61.17 -28.38 69.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.779 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.51 -41.9 37.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ALA . 18.0 p -57.38 -64.43 0.89 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.265 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.96 -32.31 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.732 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.3 t -70.68 -40.9 72.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.297 0.57 . . . . 0.0 111.43 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -85.99 -20.74 28.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.426 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -60.65 -19.91 59.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.941 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mp -47.07 -46.55 22.57 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.631 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 32' ' ' ASN . 62.4 mtt -122.43 -63.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.489 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 31' ' ' MET . 1.8 m120 -37.26 157.49 0.08 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.609 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.4 -157.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.297 -2.172 0 C-N-CA 122.762 2.308 . . . . 0.0 112.163 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -101.99 72.46 1.33 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -66.96 -1.11 3.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.545 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.61 145.97 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.376 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 41' ' ' ARG . 39.2 t -55.2 142.74 30.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -46.87 -49.85 19.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.411 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.6 -53.57 52.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.441 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.6 m -65.24 -21.0 66.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.981 0.42 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.554 ' N ' ' O ' ' A' ' 37' ' ' SER . 74.2 ttp85 -69.87 -42.67 73.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.86 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -68.14 -37.17 80.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.638 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -65.04 -42.86 93.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.412 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.23 -47.03 95.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -52.09 -49.4 63.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.015 0.436 . . . . 0.0 110.863 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.08 -37.04 72.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.017 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.29 -20.81 63.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.775 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.19 -41.51 66.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.747 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -67.49 -41.05 85.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.497 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -52.33 -43.25 64.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.353 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.47 HG22 ' H ' ' A' ' 53' ' ' TYR . 29.0 m -87.13 -2.0 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.551 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 41.76 27.7 0.36 Allowed Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.47 ' H ' HG22 ' A' ' 51' ' ' VAL . 75.5 t80 -139.42 114.61 9.65 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.24 0.543 . . . . 0.0 110.188 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.673 ' N ' ' CD ' ' A' ' 55' ' ' PRO . 2.1 mt -103.84 -39.87 0.19 Allowed Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.934 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 54' ' ' LEU . 31.4 Cg_exo . . . . . 0 C--N 1.3 -1.995 0 C-N-CA 122.753 2.302 . . . . 0.0 112.031 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.41 173.15 7.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.332 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.7 p -141.3 148.76 40.29 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.511 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 63.5 ttp -53.77 -37.2 63.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.343 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -63.58 -40.73 97.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.362 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -64.38 -35.38 80.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.244 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.4 t -61.63 -43.66 97.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.902 0.382 . . . . 0.0 110.446 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -52.78 -36.32 58.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.446 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.43 -42.34 91.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.971 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -64.82 -34.31 78.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.45 1.74 49.52 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.528 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 16' ' ' ALA . 99.5 mttt 44.28 50.36 7.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' ' CB ' ' A' ' 22' ' ' SER . 21.5 t -69.85 -81.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.475 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' ' OG1' ' A' ' 25' ' ' THR . 1.5 t 166.61 136.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 p -63.95 -26.35 68.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.496 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.5 -41.65 38.61 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.145 0.498 . . . . 0.0 111.113 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.508 ' HG1' ' H ' ' A' ' 26' ' ' VAL . 16.2 p -56.9 -63.66 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.601 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.508 ' H ' ' HG1' ' A' ' 25' ' ' THR . 34.5 t -59.95 -31.82 48.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.416 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.0 t -68.61 -43.06 77.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.975 0.417 . . . . 0.0 110.789 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -82.72 -17.66 43.57 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.25 -17.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD1' ' N ' ' A' ' 30' ' ' LEU . 9.9 mp -89.52 -8.65 52.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.849 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.502 ' N ' ' SD ' ' A' ' 31' ' ' MET . 1.1 mpt? -123.02 -38.74 2.57 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.809 0.338 . . . . 0.0 111.177 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -153.57 84.59 4.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.654 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 69.4 Cg_endo -80.08 73.86 5.82 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.717 2.278 . . . . 0.0 112.37 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 33' ' ' PRO . 80.1 m-20 -146.1 9.63 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.956 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -89.86 -26.32 20.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.78 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.76 140.69 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.188 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 41' ' ' ARG . 42.2 t -64.19 146.68 53.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.391 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 39' ' ' ALA . 24.1 pt20 -49.57 -43.97 46.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.421 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.444 ' N ' ' CG ' ' A' ' 38' ' ' GLN . . . -66.16 -53.8 33.14 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.414 -0.514 . . . . 0.0 109.932 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.7 m -64.44 -22.6 67.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.301 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 37' ' ' SER . 61.7 ttp180 -69.16 -42.56 75.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.55 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -66.26 -37.53 85.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.809 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -64.96 -42.96 94.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.455 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.3 -48.14 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.427 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -53.06 -48.16 67.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.476 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -69.3 -40.3 77.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -21.95 66.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.778 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.7 97.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.031 0.443 . . . . 0.0 110.707 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -75.45 -38.46 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.619 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -61.8 -46.45 89.47 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.77 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 p -73.82 -23.5 19.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.809 0.338 . . . . 0.0 110.31 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 51.52 59.13 8.81 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.488 ' CZ ' ' C ' ' A' ' 55' ' ' PRO . 64.7 t80 -73.19 113.32 10.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.123 0.487 . . . . 0.0 110.207 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.64 ' H ' ' CD ' ' A' ' 55' ' ' PRO . 4.4 mt -111.0 -36.71 0.12 Allowed Pre-proline 0 N--CA 1.467 0.417 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.917 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.64 ' CD ' ' H ' ' A' ' 54' ' ' LEU . 58.8 Cg_endo . . . . . 0 C--N 1.319 -0.99 0 C-N-CA 122.327 2.018 . . . . 0.0 111.765 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.28 179.11 7.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.24 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 13' ' ' LYS . 99.3 m -145.0 162.28 37.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.247 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.423 ' N ' ' CG2' ' A' ' 11' ' ' THR . 90.5 mtp -55.6 -40.23 71.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.677 -179.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 53.0 pttt -61.51 -42.31 98.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.065 0.46 . . . . 0.0 110.174 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.457 ' N ' ' CG ' ' A' ' 13' ' ' LYS . 92.8 m-20 -62.32 -36.47 82.27 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.615 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.82 -41.86 90.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.375 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -51.8 -40.78 61.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.18 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.34 -42.89 87.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.057 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -76.43 -52.68 9.38 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.004 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.88 -13.13 61.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.094 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' ALA . 78.5 tttt 48.97 49.13 19.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.712 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 t -83.04 -79.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.463 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.445 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.3 OUTLIER 172.21 130.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.225 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -52.15 -39.17 59.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.631 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.94 -42.57 66.49 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.822 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 22' ' ' SER . 25.1 p -57.43 -63.11 1.34 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.445 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.97 -38.62 77.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.578 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -59.62 -44.26 93.51 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.766 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -79.65 -18.34 51.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.819 0.342 . . . . 0.0 110.792 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.68 -19.93 59.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.045 0.45 . . . . 0.0 110.913 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.47 -39.5 87.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.409 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.8 mtt -110.16 -17.96 13.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.675 0.274 . . . . 0.0 110.604 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -139.88 75.41 30.38 Favored Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -78.93 59.2 7.26 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.844 2.363 . . . . 0.0 112.033 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -154.6 23.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -113.89 27.55 9.44 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -119.27 158.51 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.276 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' ARG . 16.8 m -58.32 151.7 19.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.384 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -52.77 -43.55 65.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.04 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.29 -53.66 45.46 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.016 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.4 m -63.95 -22.25 66.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.443 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' SER . 75.3 ttt180 -65.79 -45.56 82.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.277 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -66.35 -41.35 89.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.981 0.419 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.48 -41.98 98.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.437 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.8 t -61.78 -48.19 89.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.925 0.393 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -50.97 -51.53 51.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.003 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -68.21 -40.35 82.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.41 -23.05 35.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.39 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.73 87.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.122 0.487 . . . . 0.0 110.705 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -75.72 -39.69 56.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.82 -43.58 83.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.191 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p -73.32 -27.65 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.343 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.27 -32.44 4.69 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -46.75 148.63 0.99 Allowed 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.3 mt -134.5 148.09 66.07 Favored Pre-proline 0 N--CA 1.464 0.263 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.007 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo . . . . . 0 C--N 1.313 -1.294 0 C-N-CA 122.392 2.061 . . . . 0.0 112.111 179.667 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.61 176.78 7.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.394 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.8 p -140.29 148.67 41.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.606 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 53' ' ' TYR . 69.4 mtm -53.22 -34.14 55.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.393 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -63.94 -44.42 92.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.464 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -61.94 -35.91 79.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.988 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.14 -43.17 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.452 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -51.34 -39.58 57.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.182 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.29 -42.74 99.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.462 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.35 -41.44 76.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -88.62 0.94 55.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.638 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 16' ' ' ALA . 47.4 tttp 39.51 30.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.16 0.505 . . . . 0.0 110.655 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.41 ' C ' ' OG ' ' A' ' 22' ' ' SER . 37.9 t -69.48 -76.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.283 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.423 ' OG ' ' OG1' ' A' ' 25' ' ' THR . 0.0 OUTLIER 176.07 124.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.538 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.461 ' O ' ' OG ' ' A' ' 27' ' ' SER . 73.1 m -61.87 -29.0 69.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.503 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.16 -47.44 20.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.128 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.516 ' HG1' ' H ' ' A' ' 26' ' ' VAL . 32.4 p -57.72 -63.68 1.16 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.995 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.516 ' H ' ' HG1' ' A' ' 25' ' ' THR . 37.9 t -52.42 -35.94 20.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.165 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' A' ' 23' ' ' THR . 18.3 m -65.89 -37.94 87.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.703 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.53 ' O ' ' N ' ' A' ' 32' ' ' ASN . 79.4 mtp85 -83.63 -16.67 44.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.016 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.17 -27.58 2.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.015 0.436 . . . . 0.0 110.484 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 3.7 mm? -91.28 -5.68 54.33 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.132 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' ARG . 4.2 mmt -122.49 -56.53 1.79 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 28' ' ' ARG . 5.3 m120 -129.76 76.3 78.57 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.514 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -78.66 55.06 5.35 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.855 2.37 . . . . 0.0 112.038 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -130.81 5.3 4.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.601 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -99.32 -12.35 20.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.528 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.9 m -80.55 134.59 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.545 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 41' ' ' ARG . 38.0 t -63.67 154.66 32.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.575 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -47.44 -48.61 26.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.331 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.1 53.07 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.498 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.9 m -63.71 -22.52 66.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.286 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 37' ' ' SER . 41.8 ttm180 -68.85 -42.09 77.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.79 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.76 -40.18 79.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -63.37 -44.61 94.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.532 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.94 -48.47 88.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.499 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -51.77 -48.99 63.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.263 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -70.79 -38.93 73.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.597 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.07 -21.04 60.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.669 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.35 -46.53 73.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.09 0.471 . . . . 0.0 110.764 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 -75.16 -36.31 61.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.11 -45.25 89.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.856 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.8 p -73.16 -17.63 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.47 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.07 50.31 18.27 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.598 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 55.7 t80 -92.23 120.17 32.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.761 0.315 . . . . 0.0 110.267 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.6 mt -120.15 94.69 48.82 Favored Pre-proline 0 N--CA 1.463 0.198 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.653 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 C--N 1.31 -1.472 0 C-N-CA 122.555 2.17 . . . . 0.0 111.878 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.21 161.57 23.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.378 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.4 p -142.98 149.66 38.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.637 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 53' ' ' TYR . 85.7 mmm -52.68 -39.17 61.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -64.34 -45.36 88.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 110.779 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 66.8 t0 -61.8 -35.63 78.77 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.105 0.479 . . . . 0.0 110.664 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.65 -43.73 91.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.746 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.65 -39.91 74.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.382 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -48.84 56.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.161 0.505 . . . . 0.0 110.708 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.83 -33.18 74.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.569 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.73 4.2 47.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.517 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt 42.93 41.54 2.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.623 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.0 -78.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.548 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.49 134.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.606 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -67.29 -26.69 66.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.71 -44.27 21.12 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.729 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.515 ' HG1' ' H ' ' A' ' 26' ' ' VAL . 14.7 p -54.45 -62.85 1.39 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.817 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' H ' ' HG1' ' A' ' 25' ' ' THR . 8.8 p -51.27 -26.46 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.593 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -74.2 -32.34 63.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.619 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -81.36 -19.01 43.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.579 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.32 -17.96 2.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.994 0.425 . . . . 0.0 110.825 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' A' ' 30' ' ' LEU . 10.3 mp -85.64 -10.46 55.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.408 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 67.3 mtm -124.65 -36.2 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.766 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 31' ' ' MET . 9.6 m120 -167.69 96.62 0.62 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.463 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.651 ' C ' ' H ' ' A' ' 35' ' ' LYS . 58.3 Cg_endo -76.54 -22.57 12.09 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.928 2.418 . . . . 0.0 112.191 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -66.62 27.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.604 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.651 ' H ' ' C ' ' A' ' 33' ' ' PRO . 97.3 mttt -109.92 11.32 24.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.607 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -97.95 149.53 5.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.408 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' ARG . 36.2 t -58.62 151.48 20.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.713 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -50.3 -45.58 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.242 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.459 ' O ' ' OD1' ' A' ' 42' ' ' ASN . . . -61.85 -52.98 61.94 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.088 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.5 m -66.04 -21.01 66.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.091 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 37' ' ' SER . 60.3 ttt85 -67.03 -47.86 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.548 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.469 ' ND2' ' N ' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -67.21 -38.33 85.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.444 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.469 ' N ' ' ND2' ' A' ' 42' ' ' ASN . 35.3 mmt180 -63.92 -41.08 97.76 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.438 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.8 t -61.93 -45.83 97.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.4 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -50.99 -51.01 57.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.229 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -69.08 -40.04 78.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.979 0.419 . . . . 0.0 110.676 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -20.62 66.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.766 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.56 -40.3 70.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.686 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -68.85 -40.6 79.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.364 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.78 -51.42 70.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.777 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.477 HG11 ' H ' ' A' ' 53' ' ' TYR . 6.2 p -78.47 -14.46 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.592 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.37 32.92 1.93 Allowed Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.493 ' O ' ' SD ' ' A' ' 12' ' ' MET . 22.3 t80 -141.81 114.76 8.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.06 0.457 . . . . 0.0 110.159 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.721 ' N ' ' CD ' ' A' ' 55' ' ' PRO . 8.6 mt -100.7 -34.64 0.23 Allowed Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.011 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 54' ' ' LEU . 58.7 Cg_endo . . . . . 0 C--N 1.309 -1.539 0 C-N-CA 122.906 2.404 . . . . 0.0 112.084 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.56 -177.68 5.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.389 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 m -143.2 147.59 35.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.382 . . . . 0.0 110.489 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.8 tpp -54.03 -35.0 61.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.336 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -64.33 -42.3 96.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.63 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.27 -34.15 76.01 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.03 -44.43 98.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.607 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.76 -41.05 66.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.071 0.462 . . . . 0.0 110.284 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.423 ' C ' ' CD2' ' A' ' 17' ' ' LEU . 8.3 tt -62.25 -46.72 87.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.365 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -66.11 -39.11 89.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.776 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.15 -3.87 58.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.455 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.7 tttp 46.66 43.67 12.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.603 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.4 -75.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.45 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' ' OG1' ' A' ' 25' ' ' THR . 1.4 t 168.77 140.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.503 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 t -64.23 -32.09 73.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.751 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' O ' ' OG ' ' A' ' 27' ' ' SER . . . -75.05 -40.45 60.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 29' ' ' ALA . 15.3 p -58.02 -64.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.423 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.454 ' H ' ' HG1' ' A' ' 25' ' ' THR . 9.9 p -52.25 -30.68 13.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.852 0.358 . . . . 0.0 110.601 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.511 ' HG ' ' N ' ' A' ' 28' ' ' ARG . 58.9 p -78.65 -39.15 37.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.511 ' N ' ' HG ' ' A' ' 27' ' ' SER . 79.6 mtp85 -83.73 -18.64 37.21 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -48.69 -51.42 28.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.597 -178.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.0 mt -70.8 -9.96 58.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.63 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.4 mtt -97.04 -52.08 3.99 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.73 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -109.29 170.24 5.6 Favored Pre-proline 0 C--O 1.234 0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.752 -179.508 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 32' ' ' ASN . 43.2 Cg_exo -55.64 -137.91 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.636 2.224 . . . . 0.0 112.086 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -87.15 71.87 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.569 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -66.2 -10.38 41.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.997 0.427 . . . . 0.0 110.55 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 m -76.34 156.32 5.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.031 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' ARG . 74.3 m -70.45 157.03 38.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.771 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -51.36 -41.44 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.002 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.22 -53.75 50.81 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.874 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.1 m -65.43 -22.73 66.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.027 0.442 . . . . 0.0 110.156 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 37' ' ' SER . 2.7 tpm_? -64.64 -49.65 70.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.368 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.83 -41.01 88.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.127 0.489 . . . . 0.0 110.894 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -62.43 -44.27 96.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.43 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.3 t -60.83 -46.85 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.479 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -51.73 -51.8 53.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -70.14 -42.15 72.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.613 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.87 -23.8 67.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.683 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.34 -40.11 81.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.995 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -69.08 -40.11 78.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.1 -49.26 78.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.756 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.3 m -77.01 -16.6 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.596 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.37 46.19 11.37 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -74.48 135.49 42.26 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 mt -131.37 148.77 71.44 Favored Pre-proline 0 C--O 1.232 0.152 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo . . . . . 0 C--N 1.312 -1.345 0 C-N-CA 122.382 2.055 . . . . 0.0 111.644 179.57 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.84 174.2 8.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.365 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.6 p -142.02 149.5 40.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.647 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 97.9 mmm -53.15 -34.9 58.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.483 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.06 -43.6 91.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.742 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -61.35 -36.33 79.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.98 -41.8 90.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.615 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.83 -46.42 60.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 mt -64.38 -39.99 94.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.61 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -61.79 -38.11 86.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.404 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.39 13.52 34.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.569 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.6 tttt 42.36 47.62 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.665 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 22' ' ' SER . 62.8 t -78.43 -81.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.717 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER 164.72 138.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.335 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.461 ' O ' ' OG ' ' A' ' 27' ' ' SER . 20.2 p -72.72 -22.91 60.81 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.79 -58.01 3.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.45 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.597 ' CG2' ' H ' ' A' ' 26' ' ' VAL . 10.6 t -57.39 -56.69 18.61 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.832 0.707 . . . . 0.0 109.746 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.597 ' H ' ' CG2' ' A' ' 25' ' ' THR . 10.0 p -54.23 -33.04 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.175 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' A' ' 23' ' ' THR . 13.6 m -71.63 -33.09 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.708 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -83.23 -22.19 33.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.649 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.8 -19.56 65.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.563 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -56.71 -40.09 75.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.468 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 31' ' ' MET . 3.2 ppp? -121.21 -15.2 8.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.615 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.71 73.65 80.92 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.957 0.408 . . . . 0.0 110.465 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.441 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 63.8 Cg_endo -79.69 55.93 5.84 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.79 2.327 . . . . 0.0 112.171 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 33' ' ' PRO . 99.9 m-20 -140.22 6.89 2.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.904 0.383 . . . . 0.0 110.513 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -101.49 -21.21 14.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.694 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.43 139.83 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.487 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 41' ' ' ARG . 41.9 t -60.74 148.04 40.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.534 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -47.1 -50.51 19.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.466 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.42 -53.75 47.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.1 m -63.35 -22.22 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.555 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 37' ' ' SER . 74.6 ttt-85 -69.55 -40.88 76.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -72.69 -42.77 63.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.02 0.438 . . . . 0.0 110.63 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -58.84 -51.5 69.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.055 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -59.88 -44.03 93.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -51.33 -50.74 58.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.368 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -71.91 -39.06 69.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.933 0.397 . . . . 0.0 110.945 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 -22.04 66.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.629 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.93 -42.05 81.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.764 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -65.78 -40.72 92.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.488 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -55.73 -49.36 73.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.1 m -75.86 -15.97 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.779 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.51 40.86 40.34 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -70.4 135.0 48.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.947 0.403 . . . . 0.0 110.314 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.2 mt -125.6 87.55 55.62 Favored Pre-proline 0 C--N 1.332 -0.162 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.617 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo . . . . . 0 C--N 1.306 -1.705 0 C-N-CA 122.671 2.247 . . . . 0.0 112.171 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.189 -0.671 . . . . 326.7 109.189 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.29 174.29 9.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 122.01 110.455 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.94 149.14 44.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 295.63 110.456 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.8 mmm -50.91 -36.23 37.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 609.28 110.629 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -65.31 -41.38 94.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 642.78 110.617 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.04 -39.08 80.87 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.723 -0.391 . . . . 290.03 110.1 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.35 -41.32 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.386 -0.37 . . . . 115.73 110.811 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.91 -45.02 50.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.268 -0.424 . . . . 102.81 110.159 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -65.5 -40.36 92.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 372.84 110.417 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -66.99 -37.66 84.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.232 -0.44 . . . . 832.2 110.998 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -98.0 15.8 22.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.399 . . . . 131.49 110.219 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' ALA . 7.0 mttt 35.73 44.43 0.22 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.653 -0.703 . . . . 947.44 110.428 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 22' ' ' SER . 63.5 t -71.0 -82.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.454 . . . . 137.64 110.287 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.447 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER 167.46 131.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 216.84 110.243 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -28.54 68.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.926 -0.579 . . . . 307.25 111.35 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.89 -45.27 24.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.172 0.511 . . . . 83.99 110.441 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.686 ' HG1' ' H ' ' A' ' 26' ' ' VAL . 14.7 p -54.75 -58.11 8.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.551 -0.75 . . . . 181.74 110.314 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.686 ' H ' ' HG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER -59.06 -33.22 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.123 -0.49 . . . . 379.73 110.78 -179.59 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -71.24 -38.21 71.94 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.884 0.374 . . . . 340.2 110.341 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.474 HH21 ' HE3' ' A' ' 35' ' ' LYS . 59.2 mtp85 -84.48 -19.3 33.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.777 -0.647 . . . . 999.99 110.259 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.65 -18.66 4.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.041 -0.527 . . . . 168.78 110.666 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.09 -8.35 55.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 651.44 110.397 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 38.7 mtt -121.97 -40.59 2.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.172 -0.467 . . . . 719.24 110.466 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -134.16 78.63 58.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.807 -0.633 . . . . 656.99 110.144 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.48 54.94 3.52 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.4 2.067 . . . . 710.96 111.849 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.48 23.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 999.99 110.842 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.474 ' HE3' HH21 ' A' ' 28' ' ' ARG . 18.7 mttm -111.62 8.39 20.84 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.54 -0.3 . . . . 855.54 110.439 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -93.42 143.4 11.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 110.046 -0.353 . . . . 296.26 110.046 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 41' ' ' ARG . 8.5 t -57.57 144.19 38.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 215.35 110.127 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -48.25 -50.14 30.77 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.739 -0.385 . . . . 764.66 110.339 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.61 -54.63 40.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 138.59 110.111 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.0 m -63.16 -25.04 68.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.762 -0.654 . . . . 119.38 110.831 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 37' ' ' SER . 79.7 ttt180 -67.87 -43.33 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.964 0.412 . . . . 999.99 110.336 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.69 -36.52 84.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 589.11 110.421 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -67.86 -49.15 63.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 812.21 110.296 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.4 t -52.71 -51.53 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 281.31 110.495 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -50.38 -49.79 53.35 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.561 -0.456 . . . . 529.96 110.487 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -71.78 -40.02 69.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.813 0.339 . . . . 775.4 110.824 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.58 -26.38 68.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.255 -0.429 . . . . 107.88 111.118 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.31 -36.69 82.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.005 0.431 . . . . 133.56 110.387 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -74.6 -41.2 60.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.955 -0.566 . . . . 999.99 110.764 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -55.7 -42.02 74.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 358.91 110.786 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.547 HG22 ' H ' ' A' ' 53' ' ' TYR . 19.5 m -76.66 -18.86 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.529 . . . . 341.64 110.158 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.42 11.53 53.06 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.843 -0.903 . . . . 67.89 110.843 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.547 ' H ' HG22 ' A' ' 51' ' ' VAL . 65.3 t80 -73.51 151.61 40.95 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.016 -0.365 . . . . 735.96 110.016 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -148.05 144.81 19.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 109.729 -0.471 . . . . 999.99 109.729 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 C--N 1.31 -1.481 0 C-N-CA 122.186 1.924 . . . . 999.99 112.066 179.644 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.4 p -140.27 145.89 37.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.882 0.373 . . . . 0.0 110.526 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -51.47 -33.74 32.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -65.0 -44.12 90.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.631 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 65.8 t0 -59.65 -37.14 77.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.169 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.56 -42.34 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.377 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -52.05 -40.91 61.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.191 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.49 -43.46 98.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.323 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -62.2 -41.69 98.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.774 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.477 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -95.39 4.24 53.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.332 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' ALA . 99.0 mttt 43.74 43.71 5.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.009 0.433 . . . . 0.0 110.592 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 19' ' ' ALA . 46.6 t -68.91 -77.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.491 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.4 t 167.36 139.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.647 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.7 p -67.53 -28.02 67.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.654 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.43 -40.15 36.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 p -56.98 -64.46 0.87 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.058 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.34 -26.61 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.324 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 t -71.74 -44.21 64.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.855 0.36 . . . . 0.0 110.956 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' MET . 96.2 mtt-85 -83.91 -18.67 36.6 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.3 -47.3 36.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.982 0.42 . . . . 0.0 110.474 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 30' ' ' LEU . 4.3 mm? -73.57 -7.65 52.77 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.397 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' ARG . 86.9 mtp -102.92 -50.97 3.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.988 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -168.81 88.76 0.63 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.712 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.67 121.36 9.91 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.673 2.248 . . . . 0.0 112.179 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 60.4 t0 -173.76 20.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.936 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -129.47 -4.24 4.81 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.418 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 t -91.39 126.38 44.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.981 0.42 . . . . 0.0 110.309 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 41' ' ' ARG . 37.0 t -66.84 147.46 53.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.407 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -49.29 -47.92 46.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.381 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.89 -53.03 60.47 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.142 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 44' ' ' VAL . 70.2 m -65.51 -22.04 66.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 37' ' ' SER . 44.2 ttm180 -69.4 -43.06 74.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.546 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -69.13 -39.8 78.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.04 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 85.5 mmt-85 -65.65 -42.39 91.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.468 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 40' ' ' THR . 46.3 t -63.03 -47.67 91.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.223 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -52.08 -45.26 64.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.12 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -69.95 -39.6 75.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.45 -23.9 61.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.766 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' VAL . . . -69.72 -36.88 76.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.624 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -70.41 -41.01 73.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.673 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -51.43 -45.03 62.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.701 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.477 HG23 ' H ' ' A' ' 53' ' ' TYR . 19.6 m -75.45 -6.98 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.502 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.07 -19.28 10.37 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.477 ' H ' HG23 ' A' ' 51' ' ' VAL . 90.9 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.263 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.898 0.38 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 13' ' ' LYS . 26.3 m -143.1 148.18 36.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.617 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.5 mtp -54.02 -36.24 62.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.337 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' H ' HG22 ' A' ' 11' ' ' THR . 7.6 ttpm? -61.87 -47.82 83.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 110.371 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -58.54 -39.49 80.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.359 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.7 t -58.37 -42.92 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.455 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -52.78 -39.49 62.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.32 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.8 tp -61.39 -43.97 97.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.88 -40.38 91.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.469 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.465 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -95.85 10.71 36.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 16' ' ' ALA . 21.0 pttp 33.55 45.22 0.09 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.838 0.352 . . . . 0.0 111.026 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' ' 19' ' ' ALA . 58.8 t -68.44 -77.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.185 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t 170.25 133.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.477 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.422 ' O ' ' OG ' ' A' ' 27' ' ' SER . 23.7 m -65.06 -29.04 69.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.28 -43.07 34.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.6 p -56.87 -64.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.535 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.96 -30.66 39.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.632 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 23' ' ' THR . 27.4 m -71.52 -42.28 68.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.789 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -82.59 -19.18 38.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.71 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.481 ' C ' ' H ' ' A' ' 31' ' ' MET . . . -48.83 -49.84 37.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.639 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.5 mt -55.74 -5.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.56 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.481 ' H ' ' C ' ' A' ' 29' ' ' ALA . 79.6 mmm -122.24 -39.73 2.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.646 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -151.82 84.72 4.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.576 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -80.15 70.22 7.61 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.771 2.314 . . . . 0.0 112.218 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.8 p30 -150.91 15.61 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -100.53 -11.13 20.37 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.405 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t -75.0 141.67 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.533 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 41' ' ' ARG . 42.3 t -62.68 145.72 53.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.548 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -47.46 -49.87 24.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.499 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.26 -53.5 54.28 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.308 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.401 ' O ' HG12 ' A' ' 44' ' ' VAL . 91.3 m -65.14 -21.67 66.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.473 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 37' ' ' SER . 61.8 ttp180 -68.73 -42.04 78.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.495 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -72.56 -41.26 65.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.542 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -61.37 -50.34 73.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.522 HG13 ' N ' ' A' ' 45' ' ' GLU . 10.8 p -59.23 -43.68 90.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.505 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.522 ' N ' HG13 ' A' ' 44' ' ' VAL . 82.4 mt-10 -51.66 -46.08 63.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.247 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -68.72 -37.01 79.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.77 -21.92 60.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.655 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.92 -38.01 79.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.599 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -70.2 -37.94 75.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.22 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -54.1 -44.26 71.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.694 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.498 HG23 ' H ' ' A' ' 53' ' ' TYR . 30.5 m -77.03 -0.45 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.761 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.11 24.88 45.17 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.498 ' H ' HG23 ' A' ' 51' ' ' VAL . 39.9 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.41 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.883 0.373 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 m -142.74 147.51 35.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.608 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 93.5 mmm -51.12 -36.51 40.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.364 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.62 -43.3 97.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.806 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -61.76 -35.46 78.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.375 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.56 -43.74 95.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.472 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.0 -42.3 62.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -63.58 -43.15 97.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.248 179.604 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -64.75 -39.9 94.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.509 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.501 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -91.97 3.0 56.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.747 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.7 mttm 43.12 42.07 3.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.724 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.501 HG23 ' HB3' ' A' ' 19' ' ' ALA . 15.8 t -68.89 -75.65 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.59 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.5 t 167.44 138.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.56 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.8 m -63.62 -28.41 69.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.406 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.79 -40.97 38.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.578 HG22 HH21 ' A' ' 28' ' ' ARG . 9.7 p -58.01 -64.21 0.99 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.73 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -54.51 -30.62 21.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.261 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.4 m -68.07 -40.21 82.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.735 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.578 HH21 HG22 ' A' ' 25' ' ' THR . 87.5 mtm180 -67.01 -35.76 80.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.77 -19.16 0.09 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.522 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 28' ' ' ARG . 68.5 mt -94.15 -28.34 15.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' ARG . 66.9 mtt -95.71 -42.52 8.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.024 0.44 . . . . 0.0 110.674 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -136.58 159.02 72.1 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.576 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -42.53 159.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.662 2.241 . . . . 0.0 111.959 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.535 ' C ' ' H ' ' A' ' 36' ' ' VAL . 47.1 p-10 -78.24 72.22 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.504 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -71.79 29.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.535 ' H ' ' C ' ' A' ' 34' ' ' ASP . 16.6 m -64.55 177.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.49 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.4 m -64.79 146.7 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -48.61 -46.65 39.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.409 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.07 -53.88 46.78 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.598 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 44' ' ' VAL . 70.0 m -63.93 -24.27 67.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.113 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 37' ' ' SER . 72.3 ttt180 -65.4 -45.36 84.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.751 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.38 -41.26 80.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -62.92 -44.61 95.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.641 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 40' ' ' THR . 48.8 t -61.42 -48.94 86.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.666 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -51.36 -49.95 60.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.497 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -70.67 -40.19 73.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.91 -24.42 67.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.717 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.04 94.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.745 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -71.18 -36.63 72.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.689 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -60.15 -45.29 93.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.627 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.429 HG23 ' H ' ' A' ' 53' ' ' TYR . 34.1 m -75.29 -17.99 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.684 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.38 41.52 93.22 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.429 ' H ' HG23 ' A' ' 51' ' ' VAL . 20.9 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.53 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.075 0 CA-C-O 120.815 0.34 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 13' ' ' LYS . 14.1 m -64.18 144.59 57.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.46 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.6 ttt -57.87 -27.69 63.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.494 ' H ' HG22 ' A' ' 11' ' ' THR . 25.2 ttpp -63.09 -40.78 98.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.406 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.62 -35.31 79.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.033 0.445 . . . . 0.0 110.652 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.454 ' CG2' HG11 ' A' ' 51' ' ' VAL . 79.2 t -60.15 -43.78 93.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.604 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -53.89 -40.11 66.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.463 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.54 -44.15 97.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.492 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.92 -35.78 81.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.09 0.471 . . . . 0.0 110.681 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.19 8.18 45.06 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.705 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' ALA . 30.2 ttpt 40.34 46.31 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.944 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.408 ' O ' ' CB ' ' A' ' 22' ' ' SER . 38.5 t -68.75 -78.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.56 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.442 ' O ' ' OG1' ' A' ' 25' ' ' THR . 1.1 m 168.05 131.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.459 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.4 m -61.17 -28.38 69.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.779 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.534 ' HB1' ' NH1' ' A' ' 28' ' ' ARG . . . -77.51 -41.9 37.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ALA . 18.0 p -57.38 -64.43 0.89 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.265 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.96 -32.31 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.732 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.3 t -70.68 -40.9 72.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.297 0.57 . . . . 0.0 111.43 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.534 ' NH1' ' HB1' ' A' ' 24' ' ' ALA . 77.9 mtt85 -85.99 -20.74 28.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.426 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -60.65 -19.91 59.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.941 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mp -47.07 -46.55 22.57 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.631 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 32' ' ' ASN . 62.4 mtt -122.43 -63.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.489 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 31' ' ' MET . 1.8 m120 -37.26 157.49 0.08 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.609 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.4 -157.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.297 -2.172 0 C-N-CA 122.762 2.308 . . . . 0.0 112.163 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -101.99 72.46 1.33 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -66.96 -1.11 3.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.545 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.61 145.97 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.376 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 41' ' ' ARG . 39.2 t -55.2 142.74 30.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -46.87 -49.85 19.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.411 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.6 -53.57 52.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.441 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 44' ' ' VAL . 27.6 m -65.24 -21.0 66.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.981 0.42 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.554 ' N ' ' O ' ' A' ' 37' ' ' SER . 74.2 ttp85 -69.87 -42.67 73.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.86 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -68.14 -37.17 80.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.638 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -65.04 -42.86 93.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.412 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 40' ' ' THR . 54.3 t -62.23 -47.03 95.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -52.09 -49.4 63.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.015 0.436 . . . . 0.0 110.863 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.08 -37.04 72.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.017 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.29 -20.81 63.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.775 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.19 -41.51 66.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.747 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -67.49 -41.05 85.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.497 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -52.33 -43.25 64.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.353 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.571 HG23 ' H ' ' A' ' 53' ' ' TYR . 29.0 m -87.13 -2.0 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.551 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 41.76 27.7 0.36 Allowed Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.571 ' H ' HG23 ' A' ' 51' ' ' VAL . 75.5 t80 . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.24 0.543 . . . . 0.0 110.188 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 120.683 0.278 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.7 p -141.3 148.76 40.29 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.511 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 63.5 ttp -53.77 -37.2 63.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.343 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -63.58 -40.73 97.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.362 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -64.38 -35.38 80.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.244 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.4 t -61.63 -43.66 97.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.902 0.382 . . . . 0.0 110.446 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -52.78 -36.32 58.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.446 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.43 -42.34 91.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.971 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -64.82 -34.31 78.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.45 1.74 49.52 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.528 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 16' ' ' ALA . 99.5 mttt 44.28 50.36 7.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' ' CB ' ' A' ' 22' ' ' SER . 21.5 t -69.85 -81.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.475 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.5 t 166.61 136.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 p -63.95 -26.35 68.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.496 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.5 -41.65 38.61 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.145 0.498 . . . . 0.0 111.113 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.2 p -56.9 -63.66 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.601 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 t -59.95 -31.82 48.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.416 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.0 t -68.61 -43.06 77.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.975 0.417 . . . . 0.0 110.789 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -82.72 -17.66 43.57 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.25 -17.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.583 ' N ' HD12 ' A' ' 30' ' ' LEU . 9.9 mp -89.52 -8.65 52.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.849 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.502 ' N ' ' SD ' ' A' ' 31' ' ' MET . 1.1 mpt? -123.02 -38.74 2.57 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.809 0.338 . . . . 0.0 111.177 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -153.57 84.59 4.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.654 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.42 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 69.4 Cg_endo -80.08 73.86 5.82 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.717 2.278 . . . . 0.0 112.37 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 33' ' ' PRO . 80.1 m-20 -146.1 9.63 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.956 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -89.86 -26.32 20.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.78 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.76 140.69 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.188 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 41' ' ' ARG . 42.2 t -64.19 146.68 53.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.391 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 39' ' ' ALA . 24.1 pt20 -49.57 -43.97 46.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.421 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.444 ' N ' ' CG ' ' A' ' 38' ' ' GLN . . . -66.16 -53.8 33.14 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.414 -0.514 . . . . 0.0 109.932 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 44' ' ' VAL . 88.7 m -64.44 -22.6 67.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.301 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 37' ' ' SER . 61.7 ttp180 -69.16 -42.56 75.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.55 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -66.26 -37.53 85.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.809 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -64.96 -42.96 94.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.455 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 40' ' ' THR . 54.9 t -62.3 -48.14 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.427 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -53.06 -48.16 67.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.476 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -69.3 -40.3 77.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.43 ' O ' HG12 ' A' ' 51' ' ' VAL . . . -66.82 -21.95 66.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.778 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.7 97.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.031 0.443 . . . . 0.0 110.707 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -75.45 -38.46 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.619 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -61.8 -46.45 89.47 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.77 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 47' ' ' ALA . 8.8 p -73.82 -23.5 19.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.809 0.338 . . . . 0.0 110.31 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 51.52 59.13 8.81 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.7 t80 . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 121.123 0.487 . . . . 0.0 110.207 179.683 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 120.756 0.312 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.553 HG22 ' N ' ' A' ' 12' ' ' MET . 99.3 m -145.0 162.28 37.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.247 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.553 ' N ' HG22 ' A' ' 11' ' ' THR . 90.5 mtp -55.6 -40.23 71.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.677 -179.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 53.0 pttt -61.51 -42.31 98.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.065 0.46 . . . . 0.0 110.174 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.457 ' N ' ' CG ' ' A' ' 13' ' ' LYS . 92.8 m-20 -62.32 -36.47 82.27 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.615 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.82 -41.86 90.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.375 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -51.8 -40.78 61.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.18 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.34 -42.89 87.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.057 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -76.43 -52.68 9.38 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.004 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.88 -13.13 61.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.094 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' ALA . 78.5 tttt 48.97 49.13 19.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.712 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 t -83.04 -79.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.463 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.415 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.3 OUTLIER 172.21 130.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.225 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -52.15 -39.17 59.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.631 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.94 -42.57 66.49 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.822 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 22' ' ' SER . 25.1 p -57.43 -63.11 1.34 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.445 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.4 HG21 ' HB2' ' A' ' 16' ' ' ALA . 53.3 t -59.97 -38.62 77.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.578 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -59.62 -44.26 93.51 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.766 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -79.65 -18.34 51.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.819 0.342 . . . . 0.0 110.792 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.68 -19.93 59.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.045 0.45 . . . . 0.0 110.913 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 30' ' ' LEU . 4.5 mm? -60.47 -39.5 87.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.409 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.8 mtt -110.16 -17.96 13.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.675 0.274 . . . . 0.0 110.604 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -139.88 75.41 30.38 Favored Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -78.93 59.2 7.26 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.844 2.363 . . . . 0.0 112.033 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -154.6 23.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -113.89 27.55 9.44 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -119.27 158.51 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.276 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' ARG . 16.8 m -58.32 151.7 19.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.384 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -52.77 -43.55 65.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.04 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.29 -53.66 45.46 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.016 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.492 ' O ' HG23 ' A' ' 44' ' ' VAL . 55.4 m -63.95 -22.25 66.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.443 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 37' ' ' SER . 75.3 ttt180 -65.79 -45.56 82.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.277 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -66.35 -41.35 89.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.981 0.419 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.48 -41.98 98.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.437 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 40' ' ' THR . 39.8 t -61.78 -48.19 89.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.925 0.393 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -50.97 -51.53 51.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.003 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -68.21 -40.35 82.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.579 ' O ' HG12 ' A' ' 51' ' ' VAL . . . -56.41 -23.05 35.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.39 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.73 87.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.122 0.487 . . . . 0.0 110.705 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -75.72 -39.69 56.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.82 -43.58 83.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.191 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 47' ' ' ALA . 7.4 p -73.32 -27.65 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.343 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.27 -32.44 4.69 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.541 ' H ' HG13 ' A' ' 51' ' ' VAL . 38.5 t80 . . . . . 0 CA--C 1.512 -0.49 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.819 0.342 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.8 p -140.29 148.67 41.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.606 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 53' ' ' TYR . 69.4 mtm -53.22 -34.14 55.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.393 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -63.94 -44.42 92.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.464 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -61.94 -35.91 79.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.988 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.14 -43.17 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.452 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -51.34 -39.58 57.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.182 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.29 -42.74 99.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.462 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.35 -41.44 76.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HB1' HG23 ' A' ' 21' ' ' VAL . . . -88.62 0.94 55.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.638 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 16' ' ' ALA . 47.4 tttp 39.51 30.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.16 0.505 . . . . 0.0 110.655 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.523 HG12 ' OG ' ' A' ' 22' ' ' SER . 37.9 t -69.48 -76.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.283 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.523 ' OG ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 176.07 124.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.538 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.1 m -61.87 -29.0 69.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.503 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.16 -47.44 20.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.128 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.4 p -57.72 -63.68 1.16 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.995 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.9 t -52.42 -35.94 20.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.165 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.3 m -65.89 -37.94 87.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.703 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.53 ' O ' ' N ' ' A' ' 32' ' ' ASN . 79.4 mtp85 -83.63 -16.67 44.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.016 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.17 -27.58 2.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.015 0.436 . . . . 0.0 110.484 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.7 mm? -91.28 -5.68 54.33 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.132 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.2 mmt -122.49 -56.53 1.79 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 28' ' ' ARG . 5.3 m120 -129.76 76.3 78.57 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.514 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -78.66 55.06 5.35 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.855 2.37 . . . . 0.0 112.038 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -130.81 5.3 4.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.601 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -99.32 -12.35 20.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.528 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.431 HG22 ' H ' ' A' ' 36' ' ' VAL . 3.9 m -80.55 134.59 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.545 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 41' ' ' ARG . 38.0 t -63.67 154.66 32.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.575 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -47.44 -48.61 26.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.331 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.1 53.07 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.498 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.9 m -63.71 -22.52 66.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.286 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 37' ' ' SER . 41.8 ttm180 -68.85 -42.09 77.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.79 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.76 -40.18 79.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -63.37 -44.61 94.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.532 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.94 -48.47 88.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.499 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -51.77 -48.99 63.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.263 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -70.79 -38.93 73.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.597 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.423 ' O ' HG12 ' A' ' 51' ' ' VAL . . . -60.07 -21.04 60.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.669 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.35 -46.53 73.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.09 0.471 . . . . 0.0 110.764 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 -75.16 -36.31 61.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.11 -45.25 89.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.856 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 47' ' ' ALA . 7.8 p -73.16 -17.63 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.47 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.07 50.31 18.27 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.598 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 55.7 t80 . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.761 0.315 . . . . 0.0 110.267 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.987 0.422 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.4 p -142.98 149.66 38.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.637 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 53' ' ' TYR . 85.7 mmm -52.68 -39.17 61.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -64.34 -45.36 88.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 110.779 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 66.8 t0 -61.8 -35.63 78.77 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.105 0.479 . . . . 0.0 110.664 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.65 -43.73 91.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.746 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.65 -39.91 74.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.382 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -69.97 -48.84 56.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.161 0.505 . . . . 0.0 110.708 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.83 -33.18 74.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.569 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -98.73 4.2 47.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.517 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt 42.93 41.54 2.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.623 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' ' 19' ' ' ALA . 59.7 t -70.0 -78.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.548 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.49 134.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.606 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -67.29 -26.69 66.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.592 ' HB1' HH12 ' A' ' 28' ' ' ARG . . . -79.71 -44.27 21.12 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.729 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.452 HG22 HH21 ' A' ' 28' ' ' ARG . 14.7 p -54.45 -62.85 1.39 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.817 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.8 p -51.27 -26.46 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.593 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -74.2 -32.34 63.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.619 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.592 HH12 ' HB1' ' A' ' 24' ' ' ALA . 95.1 mtm-85 -81.36 -19.01 43.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.579 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.32 -17.96 2.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.994 0.425 . . . . 0.0 110.825 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 30' ' ' LEU . 10.3 mp -85.64 -10.46 55.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.408 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 67.3 mtm -124.65 -36.2 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.766 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 31' ' ' MET . 9.6 m120 -167.69 96.62 0.62 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.463 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.628 ' C ' ' H ' ' A' ' 35' ' ' LYS . 58.3 Cg_endo -76.54 -22.57 12.09 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.928 2.418 . . . . 0.0 112.191 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -66.62 27.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.604 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.628 ' H ' ' C ' ' A' ' 33' ' ' PRO . 97.3 mttt -109.92 11.32 24.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.607 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -97.95 149.53 5.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.408 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' ARG . 36.2 t -58.62 151.48 20.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.713 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -50.3 -45.58 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.242 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.609 ' O ' ' ND2' ' A' ' 42' ' ' ASN . . . -61.85 -52.98 61.94 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.088 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 44' ' ' VAL . 52.5 m -66.04 -21.01 66.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.091 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 37' ' ' SER . 60.3 ttt85 -67.03 -47.86 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.548 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.609 ' ND2' ' O ' ' A' ' 39' ' ' ALA . 8.4 p30 -67.21 -38.33 85.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.444 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -63.92 -41.08 97.76 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.438 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 40' ' ' THR . 38.8 t -61.93 -45.83 97.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.4 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -50.99 -51.01 57.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.229 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -69.08 -40.04 78.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.979 0.419 . . . . 0.0 110.676 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -20.62 66.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.766 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.56 -40.3 70.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.686 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -68.85 -40.6 79.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.364 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.78 -51.42 70.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.777 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.803 HG13 ' H ' ' A' ' 53' ' ' TYR . 6.2 p -78.47 -14.46 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.592 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.37 32.92 1.93 Allowed Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.803 ' H ' HG13 ' A' ' 51' ' ' VAL . 22.3 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.06 0.457 . . . . 0.0 110.159 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.638 0.256 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 13' ' ' LYS . 24.9 m -143.2 147.59 35.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.382 . . . . 0.0 110.489 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.8 tpp -54.03 -35.0 61.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.336 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' H ' HG22 ' A' ' 11' ' ' THR . 18.2 ttmm -64.33 -42.3 96.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.63 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.27 -34.15 76.01 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.03 -44.43 98.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.607 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.76 -41.05 66.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.071 0.462 . . . . 0.0 110.284 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.668 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.3 tt -62.25 -46.72 87.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.365 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -66.11 -39.11 89.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.776 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.446 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -85.15 -3.87 58.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.455 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.7 tttp 46.66 43.67 12.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.603 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.446 HG23 ' HB3' ' A' ' 19' ' ' ALA . 41.2 t -69.4 -75.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.45 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' ' OG1' ' A' ' 25' ' ' THR . 1.4 t 168.77 140.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.503 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 t -64.23 -32.09 73.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.751 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.05 -40.45 60.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 29' ' ' ALA . 15.3 p -58.02 -64.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.423 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.25 -30.68 13.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.852 0.358 . . . . 0.0 110.601 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.9 p -78.65 -39.15 37.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -83.73 -18.64 37.21 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -48.69 -51.42 28.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.597 -178.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.0 mt -70.8 -9.96 58.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.63 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.4 mtt -97.04 -52.08 3.99 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.73 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -109.29 170.24 5.6 Favored Pre-proline 0 C--O 1.234 0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.752 -179.508 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 32' ' ' ASN . 43.2 Cg_exo -55.64 -137.91 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.636 2.224 . . . . 0.0 112.086 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -87.15 71.87 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.569 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -66.2 -10.38 41.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.997 0.427 . . . . 0.0 110.55 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 m -76.34 156.32 5.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.031 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.3 m -70.45 157.03 38.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.771 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -51.36 -41.44 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.002 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.22 -53.75 50.81 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.874 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 44' ' ' VAL . 53.1 m -65.43 -22.73 66.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.027 0.442 . . . . 0.0 110.156 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -64.64 -49.65 70.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.368 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.83 -41.01 88.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.127 0.489 . . . . 0.0 110.894 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -62.43 -44.27 96.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.43 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 40' ' ' THR . 30.3 t -60.83 -46.85 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.479 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -51.73 -51.8 53.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -70.14 -42.15 72.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.613 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.431 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -63.87 -23.8 67.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.683 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.34 -40.11 81.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.995 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -69.08 -40.11 78.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.1 -49.26 78.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.756 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 47' ' ' ALA . 22.3 m -77.01 -16.6 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.596 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.37 46.19 11.37 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.422 ' H ' HG23 ' A' ' 51' ' ' VAL . 85.5 t80 . . . . . 0 C--N 1.327 -0.375 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.991 0.424 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.6 p -142.02 149.5 40.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.647 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 97.9 mmm -53.15 -34.9 58.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.483 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.06 -43.6 91.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.742 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -61.35 -36.33 79.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.98 -41.8 90.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.615 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.83 -46.42 60.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 mt -64.38 -39.99 94.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.61 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -61.79 -38.11 86.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.404 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -100.39 13.52 34.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.569 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.6 tttt 42.36 47.62 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.665 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 22' ' ' SER . 62.8 t -78.43 -81.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.717 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.475 ' O ' HG12 ' A' ' 26' ' ' VAL . 0.3 OUTLIER 164.72 138.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.335 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.2 p -72.72 -22.91 60.81 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.79 -58.01 3.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.45 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.743 HG23 ' N ' ' A' ' 26' ' ' VAL . 10.6 t -57.39 -56.69 18.61 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.832 0.707 . . . . 0.0 109.746 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.743 ' N ' HG23 ' A' ' 25' ' ' THR . 10.0 p -54.23 -33.04 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.175 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 m -71.63 -33.09 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.708 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -83.23 -22.19 33.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.649 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.8 -19.56 65.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.563 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -56.71 -40.09 75.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.468 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 31' ' ' MET . 3.2 ppp? -121.21 -15.2 8.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.615 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -130.71 73.65 80.92 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.957 0.408 . . . . 0.0 110.465 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.441 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 63.8 Cg_endo -79.69 55.93 5.84 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.79 2.327 . . . . 0.0 112.171 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 33' ' ' PRO . 99.9 m-20 -140.22 6.89 2.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.904 0.383 . . . . 0.0 110.513 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -101.49 -21.21 14.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.694 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.43 139.83 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.487 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 41' ' ' ARG . 41.9 t -60.74 148.04 40.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.534 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -47.1 -50.51 19.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.466 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.42 -53.75 47.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.498 ' O ' HG22 ' A' ' 44' ' ' VAL . 89.1 m -63.35 -22.22 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.555 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 37' ' ' SER . 74.6 ttt-85 -69.55 -40.88 76.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -72.69 -42.77 63.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.02 0.438 . . . . 0.0 110.63 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -58.84 -51.5 69.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.055 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.516 HG23 ' N ' ' A' ' 45' ' ' GLU . 34.7 m -59.88 -44.03 93.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.516 ' N ' HG23 ' A' ' 44' ' ' VAL . 47.6 tp10 -51.33 -50.74 58.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.368 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -71.91 -39.06 69.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.933 0.397 . . . . 0.0 110.945 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 -22.04 66.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.629 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.93 -42.05 81.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.764 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -65.78 -40.72 92.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.488 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -55.73 -49.36 73.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 53' ' ' TYR . 35.1 m -75.86 -15.97 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.779 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.51 40.86 40.34 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.42 ' H ' HG23 ' A' ' 51' ' ' VAL . 37.3 t80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.947 0.403 . . . . 0.0 110.314 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.762 0.315 . . . . 70.96 110.455 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.94 149.14 44.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 140.81 110.456 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.8 mmm -50.91 -36.23 37.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 448.19 110.629 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -65.31 -41.38 94.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 469.32 110.617 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.04 -39.08 80.87 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.723 -0.391 . . . . 290.03 110.1 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.423 ' CG2' HG11 ' A' ' 51' ' ' VAL . 91.9 t -62.35 -41.32 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.386 -0.37 . . . . 17.77 110.811 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.91 -45.02 50.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.268 -0.424 . . . . 12.7 110.159 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -65.5 -40.36 92.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 192.17 110.417 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -66.99 -37.66 84.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.232 -0.44 . . . . 644.09 110.998 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.512 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -98.0 15.8 22.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.399 . . . . 18.68 110.219 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' ALA . 7.0 mttt 35.73 44.43 0.22 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.653 -0.703 . . . . 644.24 110.428 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' A' ' 19' ' ' ALA . 63.5 t -71.0 -82.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.454 . . . . 26.75 110.287 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.447 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER 167.46 131.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 154.99 110.243 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -28.54 68.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.926 -0.579 . . . . 155.31 111.35 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.89 -45.27 24.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.172 0.511 . . . . 22.32 110.441 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 22' ' ' SER . 14.7 p -54.75 -58.11 8.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.551 -0.75 . . . . 77.68 110.314 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -33.22 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.123 -0.49 . . . . 192.93 110.78 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -71.24 -38.21 71.94 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.884 0.374 . . . . 191.53 110.341 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.476 HH21 ' HE3' ' A' ' 35' ' ' LYS . 59.2 mtp85 -84.48 -19.3 33.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.777 -0.647 . . . . 998.51 110.259 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.65 -18.66 4.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.041 -0.527 . . . . 78.53 110.666 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.09 -8.35 55.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 402.96 110.397 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 38.7 mtt -121.97 -40.59 2.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.172 -0.467 . . . . 576.53 110.466 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -134.16 78.63 58.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.807 -0.633 . . . . 428.43 110.144 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.48 54.94 3.52 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.4 2.067 . . . . 467.36 111.849 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.48 23.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 999.99 110.842 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.476 ' HE3' HH21 ' A' ' 28' ' ' ARG . 18.7 mttm -111.62 8.39 20.84 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.54 -0.3 . . . . 622.55 110.439 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -93.42 143.4 11.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 110.046 -0.353 . . . . 148.07 110.046 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 41' ' ' ARG . 8.5 t -57.57 144.19 38.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 118.51 110.127 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -48.25 -50.14 30.77 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.739 -0.385 . . . . 543.68 110.339 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.61 -54.63 40.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 26.92 110.111 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.0 m -63.16 -25.04 68.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.762 -0.654 . . . . 28.9 110.831 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 37' ' ' SER . 79.7 ttt180 -67.87 -43.33 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.964 0.412 . . . . 865.62 110.336 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.69 -36.52 84.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 319.05 110.421 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HD3' HH11 ' A' ' 43' ' ' ARG . 10.8 mtt180 -67.86 -49.15 63.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 563.83 110.296 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.4 t -52.71 -51.53 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 98.99 110.495 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -50.38 -49.79 53.35 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.561 -0.456 . . . . 529.96 110.487 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -71.78 -40.02 69.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.813 0.339 . . . . 569.55 110.824 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -63.58 -26.38 68.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.255 -0.429 . . . . 19.74 111.118 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.31 -36.69 82.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.005 0.431 . . . . 31.44 110.387 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -74.6 -41.2 60.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.955 -0.566 . . . . 913.89 110.764 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -55.7 -42.02 74.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 358.91 110.786 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.635 HG23 ' H ' ' A' ' 53' ' ' TYR . 19.5 m -76.66 -18.86 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.529 . . . . 169.52 110.158 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.42 11.53 53.06 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.843 -0.903 . . . . 67.89 110.843 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.635 ' H ' HG23 ' A' ' 51' ' ' VAL . 65.3 t80 . . . . . 0 C--N 1.324 -0.517 0 N-CA-C 110.016 -0.365 . . . . 526.38 110.016 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.85 177.67 8.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.238 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.4 p -140.27 145.89 37.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.882 0.373 . . . . 0.0 110.526 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -51.47 -33.74 32.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -65.0 -44.12 90.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.631 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 65.8 t0 -59.65 -37.14 77.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.169 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.56 -42.34 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.377 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -52.05 -40.91 61.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.191 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.49 -43.46 98.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.323 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -62.2 -41.69 98.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.774 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.477 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -95.39 4.24 53.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.332 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' ALA . 99.0 mttt 43.74 43.71 5.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.009 0.433 . . . . 0.0 110.592 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 19' ' ' ALA . 46.6 t -68.91 -77.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.491 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.4 t 167.36 139.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.647 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.7 p -67.53 -28.02 67.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.654 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.43 -40.15 36.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 p -56.98 -64.46 0.87 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.058 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.34 -26.61 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.324 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 t -71.74 -44.21 64.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.855 0.36 . . . . 0.0 110.956 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' MET . 96.2 mtt-85 -83.91 -18.67 36.6 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.3 -47.3 36.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.982 0.42 . . . . 0.0 110.474 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 30' ' ' LEU . 4.3 mm? -73.57 -7.65 52.77 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.397 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' ARG . 86.9 mtp -102.92 -50.97 3.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.988 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -168.81 88.76 0.63 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.712 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.67 121.36 9.91 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.673 2.248 . . . . 0.0 112.179 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 60.4 t0 -173.76 20.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.936 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -129.47 -4.24 4.81 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.418 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 t -91.39 126.38 44.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.981 0.42 . . . . 0.0 110.309 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 41' ' ' ARG . 37.0 t -66.84 147.46 53.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.407 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -49.29 -47.92 46.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.381 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.89 -53.03 60.47 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.142 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 44' ' ' VAL . 70.2 m -65.51 -22.04 66.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 37' ' ' SER . 44.2 ttm180 -69.4 -43.06 74.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.546 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -69.13 -39.8 78.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.04 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 85.5 mmt-85 -65.65 -42.39 91.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.468 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 40' ' ' THR . 46.3 t -63.03 -47.67 91.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.223 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -52.08 -45.26 64.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.12 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -69.95 -39.6 75.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.45 -23.9 61.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.766 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' VAL . . . -69.72 -36.88 76.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.624 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -70.41 -41.01 73.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.673 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -51.43 -45.03 62.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.701 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.477 HG23 ' H ' ' A' ' 53' ' ' TYR . 19.6 m -75.45 -6.98 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.502 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.07 -19.28 10.37 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.477 ' H ' HG23 ' A' ' 51' ' ' VAL . 90.9 m-85 -100.97 114.59 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.263 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.67 ' N ' ' CD ' ' A' ' 55' ' ' PRO . 8.8 mt -93.46 -34.29 0.32 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.494 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 54' ' ' LEU . 48.2 Cg_exo . . . . . 0 N--CA 1.494 1.545 0 C-N-CA 122.283 1.989 . . . . 0.0 111.685 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.46 171.34 11.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.307 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 13' ' ' LYS . 26.3 m -143.1 148.18 36.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.617 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.5 mtp -54.02 -36.24 62.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.337 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' H ' HG22 ' A' ' 11' ' ' THR . 7.6 ttpm? -61.87 -47.82 83.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 110.371 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -58.54 -39.49 80.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.359 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.7 t -58.37 -42.92 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.455 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -52.78 -39.49 62.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.32 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.8 tp -61.39 -43.97 97.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.88 -40.38 91.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.469 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -95.85 10.71 36.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 16' ' ' ALA . 21.0 pttp 33.55 45.22 0.09 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.838 0.352 . . . . 0.0 111.026 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' ' 19' ' ' ALA . 58.8 t -68.44 -77.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.185 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t 170.25 133.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.477 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.422 ' O ' ' OG ' ' A' ' 27' ' ' SER . 23.7 m -65.06 -29.04 69.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.28 -43.07 34.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.6 p -56.87 -64.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.535 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.96 -30.66 39.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.632 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 23' ' ' THR . 27.4 m -71.52 -42.28 68.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.789 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -82.59 -19.18 38.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.71 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.481 ' C ' ' H ' ' A' ' 31' ' ' MET . . . -48.83 -49.84 37.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.639 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.5 mt -55.74 -5.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.56 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.481 ' H ' ' C ' ' A' ' 29' ' ' ALA . 79.6 mmm -122.24 -39.73 2.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.646 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -151.82 84.72 4.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.576 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -80.15 70.22 7.61 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.771 2.314 . . . . 0.0 112.218 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.8 p30 -150.91 15.61 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -100.53 -11.13 20.37 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.405 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t -75.0 141.67 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.533 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 41' ' ' ARG . 42.3 t -62.68 145.72 53.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.548 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -47.46 -49.87 24.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.499 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.26 -53.5 54.28 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.308 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.401 ' O ' HG12 ' A' ' 44' ' ' VAL . 91.3 m -65.14 -21.67 66.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.473 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 37' ' ' SER . 61.8 ttp180 -68.73 -42.04 78.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.495 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -72.56 -41.26 65.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.542 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -61.37 -50.34 73.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.522 HG13 ' N ' ' A' ' 45' ' ' GLU . 10.8 p -59.23 -43.68 90.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.505 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.522 ' N ' HG13 ' A' ' 44' ' ' VAL . 82.4 mt-10 -51.66 -46.08 63.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.247 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -68.72 -37.01 79.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.77 -21.92 60.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.655 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -68.92 -38.01 79.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.599 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -70.2 -37.94 75.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.22 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -54.1 -44.26 71.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.694 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.498 HG23 ' H ' ' A' ' 53' ' ' TYR . 30.5 m -77.03 -0.45 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.761 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.11 24.88 45.17 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.498 ' H ' HG23 ' A' ' 51' ' ' VAL . 39.9 t80 -142.55 114.92 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.41 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.492 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . 2.0 pp -156.65 147.83 16.68 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.442 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo . . . . . 0 C--N 1.307 -1.63 0 C-N-CA 122.87 2.38 . . . . 0.0 112.256 179.424 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.98 179.02 7.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 m -142.74 147.51 35.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.608 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 93.5 mmm -51.12 -36.51 40.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.364 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.62 -43.3 97.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.806 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -61.76 -35.46 78.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.375 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.56 -43.74 95.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.472 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.0 -42.3 62.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -63.58 -43.15 97.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.248 179.604 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -64.75 -39.9 94.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.509 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -91.97 3.0 56.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.747 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.7 mttm 43.12 42.07 3.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.724 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.501 HG23 ' HB3' ' A' ' 19' ' ' ALA . 15.8 t -68.89 -75.65 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.59 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.5 t 167.44 138.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.56 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.8 m -63.62 -28.41 69.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.406 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.79 -40.97 38.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.578 HG22 HH21 ' A' ' 28' ' ' ARG . 9.7 p -58.01 -64.21 0.99 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.73 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -54.51 -30.62 21.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.261 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.4 m -68.07 -40.21 82.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.735 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.578 HH21 HG22 ' A' ' 25' ' ' THR . 87.5 mtm180 -67.01 -35.76 80.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.77 -19.16 0.09 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.522 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 28' ' ' ARG . 68.5 mt -94.15 -28.34 15.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' ARG . 66.9 mtt -95.71 -42.52 8.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.024 0.44 . . . . 0.0 110.674 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -136.58 159.02 72.1 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.576 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -42.53 159.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.662 2.241 . . . . 0.0 111.959 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.535 ' C ' ' H ' ' A' ' 36' ' ' VAL . 47.1 p-10 -78.24 72.22 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.504 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -71.79 29.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.535 ' H ' ' C ' ' A' ' 34' ' ' ASP . 16.6 m -64.55 177.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.49 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.4 m -64.79 146.7 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -48.61 -46.65 39.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.409 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.07 -53.88 46.78 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.598 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 44' ' ' VAL . 70.0 m -63.93 -24.27 67.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.113 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 37' ' ' SER . 72.3 ttt180 -65.4 -45.36 84.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.751 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.38 -41.26 80.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -62.92 -44.61 95.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.641 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 40' ' ' THR . 48.8 t -61.42 -48.94 86.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.666 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -51.36 -49.95 60.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.497 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -70.67 -40.19 73.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.91 -24.42 67.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.717 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.04 94.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.745 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -71.18 -36.63 72.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.689 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -60.15 -45.29 93.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.627 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.429 HG23 ' H ' ' A' ' 53' ' ' TYR . 34.1 m -75.29 -17.99 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.684 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.38 41.52 93.22 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.429 ' H ' HG23 ' A' ' 51' ' ' VAL . 20.9 t80 -85.8 138.02 32.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.53 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.1 mt -117.5 85.16 20.11 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.612 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo . . . . . 0 C--N 1.304 -1.779 0 C-N-CA 122.848 2.365 . . . . 0.0 112.006 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.1 126.18 44.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.602 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 13' ' ' LYS . 14.1 m -64.18 144.59 57.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.46 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.6 ttt -57.87 -27.69 63.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' H ' HG22 ' A' ' 11' ' ' THR . 25.2 ttpp -63.09 -40.78 98.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.406 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.62 -35.31 79.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.033 0.445 . . . . 0.0 110.652 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.454 ' CG2' HG11 ' A' ' 51' ' ' VAL . 79.2 t -60.15 -43.78 93.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.604 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -53.89 -40.11 66.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.463 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.54 -44.15 97.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.492 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.92 -35.78 81.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.09 0.471 . . . . 0.0 110.681 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.19 8.18 45.06 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.705 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' ALA . 30.2 ttpt 40.34 46.31 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.944 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.408 ' O ' ' CB ' ' A' ' 22' ' ' SER . 38.5 t -68.75 -78.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.56 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.442 ' O ' ' OG1' ' A' ' 25' ' ' THR . 1.1 m 168.05 131.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.459 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.4 m -61.17 -28.38 69.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.779 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.534 ' HB1' ' NH1' ' A' ' 28' ' ' ARG . . . -77.51 -41.9 37.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ALA . 18.0 p -57.38 -64.43 0.89 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.265 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.96 -32.31 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.732 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.3 t -70.68 -40.9 72.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.297 0.57 . . . . 0.0 111.43 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.534 ' NH1' ' HB1' ' A' ' 24' ' ' ALA . 77.9 mtt85 -85.99 -20.74 28.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.426 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -60.65 -19.91 59.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.941 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mp -47.07 -46.55 22.57 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.631 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 32' ' ' ASN . 62.4 mtt -122.43 -63.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.489 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 31' ' ' MET . 1.8 m120 -37.26 157.49 0.08 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.609 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.4 -157.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.297 -2.172 0 C-N-CA 122.762 2.308 . . . . 0.0 112.163 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -101.99 72.46 1.33 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -66.96 -1.11 3.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.545 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.61 145.97 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.376 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 41' ' ' ARG . 39.2 t -55.2 142.74 30.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -46.87 -49.85 19.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.411 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.6 -53.57 52.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.441 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 44' ' ' VAL . 27.6 m -65.24 -21.0 66.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.981 0.42 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.554 ' N ' ' O ' ' A' ' 37' ' ' SER . 74.2 ttp85 -69.87 -42.67 73.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.86 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -68.14 -37.17 80.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.638 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -65.04 -42.86 93.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.412 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 40' ' ' THR . 54.3 t -62.23 -47.03 95.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -52.09 -49.4 63.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.015 0.436 . . . . 0.0 110.863 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.08 -37.04 72.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.017 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.29 -20.81 63.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.775 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.19 -41.51 66.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.747 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -67.49 -41.05 85.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.497 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -52.33 -43.25 64.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.353 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.571 HG23 ' H ' ' A' ' 53' ' ' TYR . 29.0 m -87.13 -2.0 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.551 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 41.76 27.7 0.36 Allowed Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.571 ' H ' HG23 ' A' ' 51' ' ' VAL . 75.5 t80 -139.42 114.61 9.65 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.24 0.543 . . . . 0.0 110.188 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.676 ' H ' ' CD ' ' A' ' 55' ' ' PRO . 2.1 mt -103.84 -39.87 0.19 Allowed Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.934 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.676 ' CD ' ' H ' ' A' ' 54' ' ' LEU . 31.4 Cg_exo . . . . . 0 C--N 1.3 -1.995 0 C-N-CA 122.753 2.302 . . . . 0.0 112.031 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.41 173.15 7.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.332 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.7 p -141.3 148.76 40.29 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.511 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 63.5 ttp -53.77 -37.2 63.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.343 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -63.58 -40.73 97.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.362 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -64.38 -35.38 80.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.244 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.4 t -61.63 -43.66 97.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.902 0.382 . . . . 0.0 110.446 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -52.78 -36.32 58.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.446 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.43 -42.34 91.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.971 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -64.82 -34.31 78.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.45 1.74 49.52 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.528 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 16' ' ' ALA . 99.5 mttt 44.28 50.36 7.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' ' CB ' ' A' ' 22' ' ' SER . 21.5 t -69.85 -81.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.475 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.5 t 166.61 136.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 p -63.95 -26.35 68.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.496 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.5 -41.65 38.61 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.145 0.498 . . . . 0.0 111.113 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.2 p -56.9 -63.66 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.601 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 t -59.95 -31.82 48.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.416 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.0 t -68.61 -43.06 77.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.975 0.417 . . . . 0.0 110.789 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -82.72 -17.66 43.57 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.25 -17.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' N ' HD12 ' A' ' 30' ' ' LEU . 9.9 mp -89.52 -8.65 52.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.849 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.502 ' N ' ' SD ' ' A' ' 31' ' ' MET . 1.1 mpt? -123.02 -38.74 2.57 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.809 0.338 . . . . 0.0 111.177 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -153.57 84.59 4.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.654 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 69.4 Cg_endo -80.08 73.86 5.82 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.717 2.278 . . . . 0.0 112.37 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 33' ' ' PRO . 80.1 m-20 -146.1 9.63 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.956 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -89.86 -26.32 20.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.78 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.76 140.69 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.188 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 41' ' ' ARG . 42.2 t -64.19 146.68 53.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.391 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 39' ' ' ALA . 24.1 pt20 -49.57 -43.97 46.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.421 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.444 ' N ' ' CG ' ' A' ' 38' ' ' GLN . . . -66.16 -53.8 33.14 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.414 -0.514 . . . . 0.0 109.932 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 44' ' ' VAL . 88.7 m -64.44 -22.6 67.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.301 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 37' ' ' SER . 61.7 ttp180 -69.16 -42.56 75.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.55 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -66.26 -37.53 85.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.809 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -64.96 -42.96 94.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.455 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 40' ' ' THR . 54.9 t -62.3 -48.14 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.427 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -53.06 -48.16 67.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.476 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -69.3 -40.3 77.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.43 ' O ' HG12 ' A' ' 51' ' ' VAL . . . -66.82 -21.95 66.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.778 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.7 97.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.031 0.443 . . . . 0.0 110.707 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -75.45 -38.46 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.619 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -61.8 -46.45 89.47 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.77 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 47' ' ' ALA . 8.8 p -73.82 -23.5 19.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.809 0.338 . . . . 0.0 110.31 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 51.52 59.13 8.81 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.488 ' CZ ' ' C ' ' A' ' 55' ' ' PRO . 64.7 t80 -73.19 113.32 10.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.123 0.487 . . . . 0.0 110.207 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.692 ' H ' ' CD ' ' A' ' 55' ' ' PRO . 4.4 mt -111.0 -36.71 0.12 Allowed Pre-proline 0 N--CA 1.467 0.417 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.917 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.692 ' CD ' ' H ' ' A' ' 54' ' ' LEU . 58.8 Cg_endo . . . . . 0 C--N 1.319 -0.99 0 C-N-CA 122.327 2.018 . . . . 0.0 111.765 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.28 179.11 7.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.24 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.553 HG22 ' N ' ' A' ' 12' ' ' MET . 99.3 m -145.0 162.28 37.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.247 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.553 ' N ' HG22 ' A' ' 11' ' ' THR . 90.5 mtp -55.6 -40.23 71.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.677 -179.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 53.0 pttt -61.51 -42.31 98.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.065 0.46 . . . . 0.0 110.174 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.457 ' N ' ' CG ' ' A' ' 13' ' ' LYS . 92.8 m-20 -62.32 -36.47 82.27 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.615 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.82 -41.86 90.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.375 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -51.8 -40.78 61.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.18 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.34 -42.89 87.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.057 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -76.43 -52.68 9.38 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.004 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.88 -13.13 61.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.094 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' ALA . 78.5 tttt 48.97 49.13 19.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.712 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 t -83.04 -79.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.463 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.415 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.3 OUTLIER 172.21 130.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.225 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -52.15 -39.17 59.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.631 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.94 -42.57 66.49 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.822 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 22' ' ' SER . 25.1 p -57.43 -63.11 1.34 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.445 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.4 HG21 ' HB2' ' A' ' 16' ' ' ALA . 53.3 t -59.97 -38.62 77.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.578 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -59.62 -44.26 93.51 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.766 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -79.65 -18.34 51.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.819 0.342 . . . . 0.0 110.792 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.68 -19.93 59.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.045 0.45 . . . . 0.0 110.913 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 30' ' ' LEU . 4.5 mm? -60.47 -39.5 87.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.409 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.8 mtt -110.16 -17.96 13.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.675 0.274 . . . . 0.0 110.604 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -139.88 75.41 30.38 Favored Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -78.93 59.2 7.26 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.844 2.363 . . . . 0.0 112.033 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -154.6 23.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -113.89 27.55 9.44 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -119.27 158.51 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.276 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' ARG . 16.8 m -58.32 151.7 19.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.384 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -52.77 -43.55 65.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.04 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.29 -53.66 45.46 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.016 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.492 ' O ' HG23 ' A' ' 44' ' ' VAL . 55.4 m -63.95 -22.25 66.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.443 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 37' ' ' SER . 75.3 ttt180 -65.79 -45.56 82.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.277 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -66.35 -41.35 89.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.981 0.419 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.48 -41.98 98.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.437 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 40' ' ' THR . 39.8 t -61.78 -48.19 89.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.925 0.393 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -50.97 -51.53 51.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.003 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -68.21 -40.35 82.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.579 ' O ' HG12 ' A' ' 51' ' ' VAL . . . -56.41 -23.05 35.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.39 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.73 87.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.122 0.487 . . . . 0.0 110.705 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -75.72 -39.69 56.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.82 -43.58 83.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.191 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 47' ' ' ALA . 7.4 p -73.32 -27.65 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.343 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.27 -32.44 4.69 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.541 ' H ' HG13 ' A' ' 51' ' ' VAL . 38.5 t80 -46.75 148.63 0.99 Allowed 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.3 mt -134.5 148.09 66.07 Favored Pre-proline 0 N--CA 1.464 0.263 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.007 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo . . . . . 0 C--N 1.313 -1.294 0 C-N-CA 122.392 2.061 . . . . 0.0 112.111 179.667 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.61 176.78 7.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.394 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.8 p -140.29 148.67 41.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.606 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 53' ' ' TYR . 69.4 mtm -53.22 -34.14 55.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.393 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -63.94 -44.42 92.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.464 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -61.94 -35.91 79.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.988 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.14 -43.17 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.452 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -51.34 -39.58 57.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.182 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.29 -42.74 99.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.462 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.35 -41.44 76.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HB1' HG23 ' A' ' 21' ' ' VAL . . . -88.62 0.94 55.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.638 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 16' ' ' ALA . 47.4 tttp 39.51 30.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.16 0.505 . . . . 0.0 110.655 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.523 HG12 ' OG ' ' A' ' 22' ' ' SER . 37.9 t -69.48 -76.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.283 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.523 ' OG ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 176.07 124.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.538 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.1 m -61.87 -29.0 69.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.503 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.16 -47.44 20.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.128 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.4 p -57.72 -63.68 1.16 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.995 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.9 t -52.42 -35.94 20.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.165 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.3 m -65.89 -37.94 87.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.703 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.53 ' O ' ' N ' ' A' ' 32' ' ' ASN . 79.4 mtp85 -83.63 -16.67 44.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.016 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.17 -27.58 2.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.015 0.436 . . . . 0.0 110.484 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.7 mm? -91.28 -5.68 54.33 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.132 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.2 mmt -122.49 -56.53 1.79 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 28' ' ' ARG . 5.3 m120 -129.76 76.3 78.57 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.514 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -78.66 55.06 5.35 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.855 2.37 . . . . 0.0 112.038 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -130.81 5.3 4.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.601 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -99.32 -12.35 20.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.528 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.431 HG22 ' H ' ' A' ' 36' ' ' VAL . 3.9 m -80.55 134.59 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.545 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 41' ' ' ARG . 38.0 t -63.67 154.66 32.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.575 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -47.44 -48.61 26.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.331 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.1 53.07 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.498 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.9 m -63.71 -22.52 66.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.286 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 37' ' ' SER . 41.8 ttm180 -68.85 -42.09 77.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.79 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.76 -40.18 79.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -63.37 -44.61 94.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.532 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.94 -48.47 88.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.499 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -51.77 -48.99 63.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.263 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -70.79 -38.93 73.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.597 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.423 ' O ' HG12 ' A' ' 51' ' ' VAL . . . -60.07 -21.04 60.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.669 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.35 -46.53 73.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.09 0.471 . . . . 0.0 110.764 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 -75.16 -36.31 61.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.11 -45.25 89.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.856 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 47' ' ' ALA . 7.8 p -73.16 -17.63 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.47 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.07 50.31 18.27 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.598 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 55.7 t80 -92.23 120.17 32.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.761 0.315 . . . . 0.0 110.267 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.6 mt -120.15 94.69 48.82 Favored Pre-proline 0 N--CA 1.463 0.198 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.653 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 C--N 1.31 -1.472 0 C-N-CA 122.555 2.17 . . . . 0.0 111.878 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.21 161.57 23.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.378 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.4 p -142.98 149.66 38.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.637 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 53' ' ' TYR . 85.7 mmm -52.68 -39.17 61.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -64.34 -45.36 88.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 110.779 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 66.8 t0 -61.8 -35.63 78.77 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.105 0.479 . . . . 0.0 110.664 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.65 -43.73 91.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.746 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.65 -39.91 74.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.382 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -69.97 -48.84 56.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.161 0.505 . . . . 0.0 110.708 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.83 -33.18 74.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.569 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -98.73 4.2 47.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.517 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt 42.93 41.54 2.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.623 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' ' 19' ' ' ALA . 59.7 t -70.0 -78.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.548 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.49 134.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.606 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -67.29 -26.69 66.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.592 ' HB1' HH12 ' A' ' 28' ' ' ARG . . . -79.71 -44.27 21.12 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.729 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.452 HG22 HH21 ' A' ' 28' ' ' ARG . 14.7 p -54.45 -62.85 1.39 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.817 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.8 p -51.27 -26.46 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.593 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -74.2 -32.34 63.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.619 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.592 HH12 ' HB1' ' A' ' 24' ' ' ALA . 95.1 mtm-85 -81.36 -19.01 43.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.579 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.32 -17.96 2.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.994 0.425 . . . . 0.0 110.825 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 30' ' ' LEU . 10.3 mp -85.64 -10.46 55.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.408 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 67.3 mtm -124.65 -36.2 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.766 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 31' ' ' MET . 9.6 m120 -167.69 96.62 0.62 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.463 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.628 ' C ' ' H ' ' A' ' 35' ' ' LYS . 58.3 Cg_endo -76.54 -22.57 12.09 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.928 2.418 . . . . 0.0 112.191 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -66.62 27.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.604 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.628 ' H ' ' C ' ' A' ' 33' ' ' PRO . 97.3 mttt -109.92 11.32 24.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.607 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -97.95 149.53 5.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.408 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' ARG . 36.2 t -58.62 151.48 20.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.713 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -50.3 -45.58 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.242 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.609 ' O ' ' ND2' ' A' ' 42' ' ' ASN . . . -61.85 -52.98 61.94 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.088 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 44' ' ' VAL . 52.5 m -66.04 -21.01 66.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.091 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 37' ' ' SER . 60.3 ttt85 -67.03 -47.86 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.548 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.609 ' ND2' ' O ' ' A' ' 39' ' ' ALA . 8.4 p30 -67.21 -38.33 85.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.444 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -63.92 -41.08 97.76 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.438 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 40' ' ' THR . 38.8 t -61.93 -45.83 97.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.4 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -50.99 -51.01 57.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.229 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -69.08 -40.04 78.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.979 0.419 . . . . 0.0 110.676 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -20.62 66.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.766 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.56 -40.3 70.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.686 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -68.85 -40.6 79.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.364 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.78 -51.42 70.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.777 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.803 HG13 ' H ' ' A' ' 53' ' ' TYR . 6.2 p -78.47 -14.46 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.592 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.37 32.92 1.93 Allowed Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.803 ' H ' HG13 ' A' ' 51' ' ' VAL . 22.3 t80 -141.81 114.76 8.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.06 0.457 . . . . 0.0 110.159 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.721 ' N ' ' CD ' ' A' ' 55' ' ' PRO . 8.6 mt -100.7 -34.64 0.23 Allowed Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.011 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 54' ' ' LEU . 58.7 Cg_endo . . . . . 0 C--N 1.309 -1.539 0 C-N-CA 122.906 2.404 . . . . 0.0 112.084 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.56 -177.68 5.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.389 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 13' ' ' LYS . 24.9 m -143.2 147.59 35.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.382 . . . . 0.0 110.489 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.8 tpp -54.03 -35.0 61.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.336 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' H ' HG22 ' A' ' 11' ' ' THR . 18.2 ttmm -64.33 -42.3 96.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.63 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.27 -34.15 76.01 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.03 -44.43 98.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.607 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.76 -41.05 66.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.071 0.462 . . . . 0.0 110.284 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.668 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.3 tt -62.25 -46.72 87.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.365 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -66.11 -39.11 89.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.776 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.446 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -85.15 -3.87 58.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.455 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.7 tttp 46.66 43.67 12.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.603 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.446 HG23 ' HB3' ' A' ' 19' ' ' ALA . 41.2 t -69.4 -75.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.45 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' ' OG1' ' A' ' 25' ' ' THR . 1.4 t 168.77 140.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.503 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 t -64.23 -32.09 73.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.751 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.05 -40.45 60.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 29' ' ' ALA . 15.3 p -58.02 -64.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.423 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.25 -30.68 13.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.852 0.358 . . . . 0.0 110.601 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.9 p -78.65 -39.15 37.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -83.73 -18.64 37.21 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -48.69 -51.42 28.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.597 -178.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.0 mt -70.8 -9.96 58.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.63 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.4 mtt -97.04 -52.08 3.99 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.73 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -109.29 170.24 5.6 Favored Pre-proline 0 C--O 1.234 0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.752 -179.508 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 32' ' ' ASN . 43.2 Cg_exo -55.64 -137.91 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.636 2.224 . . . . 0.0 112.086 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -87.15 71.87 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.569 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -66.2 -10.38 41.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.997 0.427 . . . . 0.0 110.55 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 m -76.34 156.32 5.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.031 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.3 m -70.45 157.03 38.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.771 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -51.36 -41.44 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.002 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.22 -53.75 50.81 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.874 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 44' ' ' VAL . 53.1 m -65.43 -22.73 66.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.027 0.442 . . . . 0.0 110.156 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -64.64 -49.65 70.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.368 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.83 -41.01 88.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.127 0.489 . . . . 0.0 110.894 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -62.43 -44.27 96.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.43 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 40' ' ' THR . 30.3 t -60.83 -46.85 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.479 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -51.73 -51.8 53.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -70.14 -42.15 72.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.613 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -63.87 -23.8 67.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.683 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.34 -40.11 81.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.995 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -69.08 -40.11 78.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.1 -49.26 78.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.756 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 47' ' ' ALA . 22.3 m -77.01 -16.6 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.596 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.37 46.19 11.37 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.422 ' H ' HG23 ' A' ' 51' ' ' VAL . 85.5 t80 -74.48 135.49 42.26 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 mt -131.37 148.77 71.44 Favored Pre-proline 0 C--O 1.232 0.152 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo . . . . . 0 C--N 1.312 -1.345 0 C-N-CA 122.382 2.055 . . . . 0.0 111.644 179.57 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.84 174.2 8.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.365 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.6 p -142.02 149.5 40.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.647 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 97.9 mmm -53.15 -34.9 58.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.483 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.06 -43.6 91.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.742 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -61.35 -36.33 79.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.98 -41.8 90.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.615 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.83 -46.42 60.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 mt -64.38 -39.99 94.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.61 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -61.79 -38.11 86.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.404 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -100.39 13.52 34.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.569 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.6 tttt 42.36 47.62 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.665 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 22' ' ' SER . 62.8 t -78.43 -81.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.717 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.475 ' O ' HG12 ' A' ' 26' ' ' VAL . 0.3 OUTLIER 164.72 138.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.335 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.2 p -72.72 -22.91 60.81 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.79 -58.01 3.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.45 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.743 HG23 ' N ' ' A' ' 26' ' ' VAL . 10.6 t -57.39 -56.69 18.61 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.832 0.707 . . . . 0.0 109.746 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.743 ' N ' HG23 ' A' ' 25' ' ' THR . 10.0 p -54.23 -33.04 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.175 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 m -71.63 -33.09 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.708 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -83.23 -22.19 33.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.649 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.8 -19.56 65.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.563 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -56.71 -40.09 75.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.468 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 31' ' ' MET . 3.2 ppp? -121.21 -15.2 8.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.615 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -130.71 73.65 80.92 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.957 0.408 . . . . 0.0 110.465 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.441 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 63.8 Cg_endo -79.69 55.93 5.84 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.79 2.327 . . . . 0.0 112.171 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 33' ' ' PRO . 99.9 m-20 -140.22 6.89 2.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.904 0.383 . . . . 0.0 110.513 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -101.49 -21.21 14.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.694 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.43 139.83 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.487 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 41' ' ' ARG . 41.9 t -60.74 148.04 40.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.534 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -47.1 -50.51 19.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.466 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.42 -53.75 47.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.498 ' O ' HG22 ' A' ' 44' ' ' VAL . 89.1 m -63.35 -22.22 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.555 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 37' ' ' SER . 74.6 ttt-85 -69.55 -40.88 76.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -72.69 -42.77 63.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.02 0.438 . . . . 0.0 110.63 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -58.84 -51.5 69.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.055 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.516 HG23 ' N ' ' A' ' 45' ' ' GLU . 34.7 m -59.88 -44.03 93.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.516 ' N ' HG23 ' A' ' 44' ' ' VAL . 47.6 tp10 -51.33 -50.74 58.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.368 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -71.91 -39.06 69.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.933 0.397 . . . . 0.0 110.945 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 -22.04 66.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.629 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.93 -42.05 81.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.764 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -65.78 -40.72 92.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.488 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -55.73 -49.36 73.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 53' ' ' TYR . 35.1 m -75.86 -15.97 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.779 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.51 40.86 40.34 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.42 ' H ' HG23 ' A' ' 51' ' ' VAL . 37.3 t80 -70.4 135.0 48.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.947 0.403 . . . . 0.0 110.314 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.2 mt -125.6 87.55 55.62 Favored Pre-proline 0 C--N 1.332 -0.162 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.617 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo . . . . . 0 C--N 1.306 -1.705 0 C-N-CA 122.671 2.247 . . . . 0.0 112.171 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.189 -0.671 . . . . 199.36 109.189 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.29 174.29 9.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 70.96 110.455 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.94 149.14 44.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 140.81 110.456 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.8 mmm -50.91 -36.23 37.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 448.19 110.629 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -65.31 -41.38 94.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 469.32 110.617 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.04 -39.08 80.87 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.723 -0.391 . . . . 290.03 110.1 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.423 ' CG2' HG11 ' A' ' 51' ' ' VAL . 91.9 t -62.35 -41.32 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.386 -0.37 . . . . 17.77 110.811 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.91 -45.02 50.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.268 -0.424 . . . . 12.7 110.159 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -65.5 -40.36 92.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 192.17 110.417 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -66.99 -37.66 84.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.232 -0.44 . . . . 644.09 110.998 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.512 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -98.0 15.8 22.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.399 . . . . 18.68 110.219 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' ALA . 7.0 mttt 35.73 44.43 0.22 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.653 -0.703 . . . . 644.24 110.428 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' A' ' 19' ' ' ALA . 63.5 t -71.0 -82.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.454 . . . . 26.75 110.287 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.447 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER 167.46 131.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 154.99 110.243 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -28.54 68.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.926 -0.579 . . . . 155.31 111.35 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.89 -45.27 24.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.172 0.511 . . . . 22.32 110.441 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 22' ' ' SER . 14.7 p -54.75 -58.11 8.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.551 -0.75 . . . . 77.68 110.314 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -33.22 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.123 -0.49 . . . . 192.93 110.78 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -71.24 -38.21 71.94 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.884 0.374 . . . . 191.53 110.341 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.476 HH21 ' HE3' ' A' ' 35' ' ' LYS . 59.2 mtp85 -84.48 -19.3 33.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.777 -0.647 . . . . 998.51 110.259 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.65 -18.66 4.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.041 -0.527 . . . . 78.53 110.666 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.09 -8.35 55.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 402.96 110.397 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 38.7 mtt -121.97 -40.59 2.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.172 -0.467 . . . . 576.53 110.466 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -134.16 78.63 58.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.807 -0.633 . . . . 428.43 110.144 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.48 54.94 3.52 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.4 2.067 . . . . 467.36 111.849 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.48 23.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 999.99 110.842 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.476 ' HE3' HH21 ' A' ' 28' ' ' ARG . 18.7 mttm -111.62 8.39 20.84 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.54 -0.3 . . . . 622.55 110.439 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -93.42 143.4 11.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 110.046 -0.353 . . . . 148.07 110.046 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 41' ' ' ARG . 8.5 t -57.57 144.19 38.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 118.51 110.127 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -48.25 -50.14 30.77 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.739 -0.385 . . . . 543.68 110.339 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.61 -54.63 40.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 26.92 110.111 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.0 m -63.16 -25.04 68.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.762 -0.654 . . . . 28.9 110.831 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 37' ' ' SER . 79.7 ttt180 -67.87 -43.33 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.964 0.412 . . . . 865.62 110.336 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.69 -36.52 84.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 319.05 110.421 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HD3' HH11 ' A' ' 43' ' ' ARG . 10.8 mtt180 -67.86 -49.15 63.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 563.83 110.296 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.4 t -52.71 -51.53 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 98.99 110.495 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -50.38 -49.79 53.35 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.561 -0.456 . . . . 529.96 110.487 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -71.78 -40.02 69.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.813 0.339 . . . . 569.55 110.824 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -63.58 -26.38 68.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.255 -0.429 . . . . 19.74 111.118 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.31 -36.69 82.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.005 0.431 . . . . 31.44 110.387 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -74.6 -41.2 60.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.955 -0.566 . . . . 913.89 110.764 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -55.7 -42.02 74.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 358.91 110.786 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.635 HG23 ' H ' ' A' ' 53' ' ' TYR . 19.5 m -76.66 -18.86 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.529 . . . . 169.52 110.158 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.42 11.53 53.06 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.843 -0.903 . . . . 67.89 110.843 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.635 ' H ' HG23 ' A' ' 51' ' ' VAL . 65.3 t80 -73.51 151.61 40.95 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.016 -0.365 . . . . 526.38 110.016 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.406 ' HG ' ' C ' ' A' ' 53' ' ' TYR . 19.0 mt -148.05 144.81 19.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 109.729 -0.471 . . . . 999.99 109.729 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 C--N 1.31 -1.481 0 C-N-CA 122.186 1.924 . . . . 999.99 112.066 179.644 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.4 p -140.27 145.89 37.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.882 0.373 . . . . 0.0 110.526 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -51.47 -33.74 32.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -65.0 -44.12 90.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.631 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 65.8 t0 -59.65 -37.14 77.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.169 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.56 -42.34 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.377 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -52.05 -40.91 61.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.191 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.49 -43.46 98.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.323 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -62.2 -41.69 98.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.774 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.477 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -95.39 4.24 53.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.332 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' ALA . 99.0 mttt 43.74 43.71 5.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.009 0.433 . . . . 0.0 110.592 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 19' ' ' ALA . 46.6 t -68.91 -77.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.491 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.4 t 167.36 139.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.647 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.7 p -67.53 -28.02 67.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.654 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.43 -40.15 36.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 p -56.98 -64.46 0.87 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.058 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.34 -26.61 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.324 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 t -71.74 -44.21 64.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.855 0.36 . . . . 0.0 110.956 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' MET . 96.2 mtt-85 -83.91 -18.67 36.6 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.3 -47.3 36.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.982 0.42 . . . . 0.0 110.474 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 30' ' ' LEU . 4.3 mm? -73.57 -7.65 52.77 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.397 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' ARG . 86.9 mtp -102.92 -50.97 3.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.988 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.554 HD22 ' C ' ' A' ' 32' ' ' ASN . 0.2 OUTLIER -168.81 88.76 0.63 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.712 -179.763 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.67 121.36 9.91 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.673 2.248 . . . . 0.0 112.179 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 60.4 t0 -173.76 20.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.936 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -129.47 -4.24 4.81 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.418 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 t -91.39 126.38 44.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.981 0.42 . . . . 0.0 110.309 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 41' ' ' ARG . 37.0 t -66.84 147.46 53.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.407 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -49.29 -47.92 46.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.381 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.89 -53.03 60.47 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.142 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 44' ' ' VAL . 70.2 m -65.51 -22.04 66.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 37' ' ' SER . 44.2 ttm180 -69.4 -43.06 74.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.546 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -69.13 -39.8 78.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.04 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 85.5 mmt-85 -65.65 -42.39 91.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.468 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 40' ' ' THR . 46.3 t -63.03 -47.67 91.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.223 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -52.08 -45.26 64.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.12 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -69.95 -39.6 75.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.45 -23.9 61.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.766 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' VAL . . . -69.72 -36.88 76.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.624 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -70.41 -41.01 73.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.673 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -51.43 -45.03 62.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.701 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.477 HG23 ' H ' ' A' ' 53' ' ' TYR . 19.6 m -75.45 -6.98 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.502 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.07 -19.28 10.37 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.477 ' H ' HG23 ' A' ' 51' ' ' VAL . 90.9 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.263 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.898 0.38 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 13' ' ' LYS . 26.3 m -143.1 148.18 36.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.617 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.5 mtp -54.02 -36.24 62.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.337 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' H ' HG22 ' A' ' 11' ' ' THR . 7.6 ttpm? -61.87 -47.82 83.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 110.371 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -58.54 -39.49 80.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.359 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.7 t -58.37 -42.92 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.455 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -52.78 -39.49 62.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.32 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.8 tp -61.39 -43.97 97.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.88 -40.38 91.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.469 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.465 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -95.85 10.71 36.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 16' ' ' ALA . 21.0 pttp 33.55 45.22 0.09 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.838 0.352 . . . . 0.0 111.026 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' ' 19' ' ' ALA . 58.8 t -68.44 -77.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.185 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t 170.25 133.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.477 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.422 ' O ' ' OG ' ' A' ' 27' ' ' SER . 23.7 m -65.06 -29.04 69.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.28 -43.07 34.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.6 p -56.87 -64.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.535 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.96 -30.66 39.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.632 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 23' ' ' THR . 27.4 m -71.52 -42.28 68.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.789 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -82.59 -19.18 38.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.71 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.481 ' C ' ' H ' ' A' ' 31' ' ' MET . . . -48.83 -49.84 37.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.639 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.5 mt -55.74 -5.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.56 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.481 ' H ' ' C ' ' A' ' 29' ' ' ALA . 79.6 mmm -122.24 -39.73 2.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.646 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -151.82 84.72 4.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.576 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -80.15 70.22 7.61 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.771 2.314 . . . . 0.0 112.218 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.8 p30 -150.91 15.61 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -100.53 -11.13 20.37 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.405 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t -75.0 141.67 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.533 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 41' ' ' ARG . 42.3 t -62.68 145.72 53.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.548 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -47.46 -49.87 24.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.499 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.26 -53.5 54.28 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.308 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.401 ' O ' HG12 ' A' ' 44' ' ' VAL . 91.3 m -65.14 -21.67 66.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.473 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 37' ' ' SER . 61.8 ttp180 -68.73 -42.04 78.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.495 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -72.56 -41.26 65.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.542 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -61.37 -50.34 73.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.522 HG13 ' N ' ' A' ' 45' ' ' GLU . 10.8 p -59.23 -43.68 90.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.505 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.522 ' N ' HG13 ' A' ' 44' ' ' VAL . 82.4 mt-10 -51.66 -46.08 63.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.247 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -68.72 -37.01 79.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.77 -21.92 60.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.655 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.92 -38.01 79.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.599 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -70.2 -37.94 75.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.22 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -54.1 -44.26 71.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.694 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.498 HG23 ' H ' ' A' ' 53' ' ' TYR . 30.5 m -77.03 -0.45 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.761 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.11 24.88 45.17 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.498 ' H ' HG23 ' A' ' 51' ' ' VAL . 39.9 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.41 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.883 0.373 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 m -142.74 147.51 35.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.608 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 93.5 mmm -51.12 -36.51 40.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.364 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.62 -43.3 97.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.806 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -61.76 -35.46 78.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.375 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.56 -43.74 95.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.472 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.0 -42.3 62.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -63.58 -43.15 97.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.248 179.604 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -64.75 -39.9 94.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.509 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.501 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -91.97 3.0 56.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.747 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.7 mttm 43.12 42.07 3.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.724 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.501 HG23 ' HB3' ' A' ' 19' ' ' ALA . 15.8 t -68.89 -75.65 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.59 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.5 t 167.44 138.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.56 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.8 m -63.62 -28.41 69.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.406 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.79 -40.97 38.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.578 HG22 HH21 ' A' ' 28' ' ' ARG . 9.7 p -58.01 -64.21 0.99 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.73 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -54.51 -30.62 21.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.261 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.4 m -68.07 -40.21 82.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.735 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.578 HH21 HG22 ' A' ' 25' ' ' THR . 87.5 mtm180 -67.01 -35.76 80.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.77 -19.16 0.09 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.522 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 28' ' ' ARG . 68.5 mt -94.15 -28.34 15.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' ARG . 66.9 mtt -95.71 -42.52 8.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.024 0.44 . . . . 0.0 110.674 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -136.58 159.02 72.1 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.576 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -42.53 159.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.662 2.241 . . . . 0.0 111.959 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.535 ' C ' ' H ' ' A' ' 36' ' ' VAL . 47.1 p-10 -78.24 72.22 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.504 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -71.79 29.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.535 ' H ' ' C ' ' A' ' 34' ' ' ASP . 16.6 m -64.55 177.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.49 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.4 m -64.79 146.7 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -48.61 -46.65 39.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.409 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.07 -53.88 46.78 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.598 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 44' ' ' VAL . 70.0 m -63.93 -24.27 67.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.113 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 37' ' ' SER . 72.3 ttt180 -65.4 -45.36 84.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.751 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.38 -41.26 80.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -62.92 -44.61 95.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.641 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 40' ' ' THR . 48.8 t -61.42 -48.94 86.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.666 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -51.36 -49.95 60.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.497 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -70.67 -40.19 73.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.91 -24.42 67.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.717 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.04 94.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.745 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -71.18 -36.63 72.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.689 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -60.15 -45.29 93.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.627 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.429 HG23 ' H ' ' A' ' 53' ' ' TYR . 34.1 m -75.29 -17.99 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.684 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.38 41.52 93.22 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.429 ' H ' HG23 ' A' ' 51' ' ' VAL . 20.9 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.53 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.075 0 CA-C-O 120.815 0.34 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 13' ' ' LYS . 14.1 m -64.18 144.59 57.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.46 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.6 ttt -57.87 -27.69 63.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.494 ' H ' HG22 ' A' ' 11' ' ' THR . 25.2 ttpp -63.09 -40.78 98.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.406 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.62 -35.31 79.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.033 0.445 . . . . 0.0 110.652 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.454 ' CG2' HG11 ' A' ' 51' ' ' VAL . 79.2 t -60.15 -43.78 93.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.604 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -53.89 -40.11 66.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.463 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.54 -44.15 97.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.492 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.92 -35.78 81.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.09 0.471 . . . . 0.0 110.681 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.19 8.18 45.06 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.705 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' ALA . 30.2 ttpt 40.34 46.31 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.944 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.408 ' O ' ' CB ' ' A' ' 22' ' ' SER . 38.5 t -68.75 -78.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.56 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.442 ' O ' ' OG1' ' A' ' 25' ' ' THR . 1.1 m 168.05 131.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.459 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.4 m -61.17 -28.38 69.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.779 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.534 ' HB1' ' NH1' ' A' ' 28' ' ' ARG . . . -77.51 -41.9 37.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ALA . 18.0 p -57.38 -64.43 0.89 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.265 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.96 -32.31 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.732 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.3 t -70.68 -40.9 72.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.297 0.57 . . . . 0.0 111.43 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.534 ' NH1' ' HB1' ' A' ' 24' ' ' ALA . 77.9 mtt85 -85.99 -20.74 28.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.426 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -60.65 -19.91 59.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.941 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mp -47.07 -46.55 22.57 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.631 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 32' ' ' ASN . 62.4 mtt -122.43 -63.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.489 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 31' ' ' MET . 1.8 m120 -37.26 157.49 0.08 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.609 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.4 -157.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.297 -2.172 0 C-N-CA 122.762 2.308 . . . . 0.0 112.163 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -101.99 72.46 1.33 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -66.96 -1.11 3.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.545 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.61 145.97 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.376 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 41' ' ' ARG . 39.2 t -55.2 142.74 30.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -46.87 -49.85 19.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.411 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.6 -53.57 52.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.441 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 44' ' ' VAL . 27.6 m -65.24 -21.0 66.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.981 0.42 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.554 ' N ' ' O ' ' A' ' 37' ' ' SER . 74.2 ttp85 -69.87 -42.67 73.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.86 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -68.14 -37.17 80.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.638 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -65.04 -42.86 93.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.412 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 40' ' ' THR . 54.3 t -62.23 -47.03 95.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -52.09 -49.4 63.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.015 0.436 . . . . 0.0 110.863 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.08 -37.04 72.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.017 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.29 -20.81 63.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.775 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.19 -41.51 66.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.747 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -67.49 -41.05 85.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.497 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -52.33 -43.25 64.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.353 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.571 HG23 ' H ' ' A' ' 53' ' ' TYR . 29.0 m -87.13 -2.0 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.551 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 41.76 27.7 0.36 Allowed Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.571 ' H ' HG23 ' A' ' 51' ' ' VAL . 75.5 t80 . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.24 0.543 . . . . 0.0 110.188 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 120.683 0.278 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.7 p -141.3 148.76 40.29 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.511 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 63.5 ttp -53.77 -37.2 63.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.343 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -63.58 -40.73 97.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.362 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -64.38 -35.38 80.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.244 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.4 t -61.63 -43.66 97.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.902 0.382 . . . . 0.0 110.446 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -52.78 -36.32 58.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.446 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.43 -42.34 91.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.971 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -64.82 -34.31 78.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.45 1.74 49.52 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.528 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 16' ' ' ALA . 99.5 mttt 44.28 50.36 7.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' ' CB ' ' A' ' 22' ' ' SER . 21.5 t -69.85 -81.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.475 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.5 t 166.61 136.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 p -63.95 -26.35 68.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.496 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.5 -41.65 38.61 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.145 0.498 . . . . 0.0 111.113 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.2 p -56.9 -63.66 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.601 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 t -59.95 -31.82 48.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.416 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.0 t -68.61 -43.06 77.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.975 0.417 . . . . 0.0 110.789 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -82.72 -17.66 43.57 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.25 -17.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.583 ' N ' HD12 ' A' ' 30' ' ' LEU . 9.9 mp -89.52 -8.65 52.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.849 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.502 ' N ' ' SD ' ' A' ' 31' ' ' MET . 1.1 mpt? -123.02 -38.74 2.57 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.809 0.338 . . . . 0.0 111.177 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -153.57 84.59 4.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.654 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.42 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 69.4 Cg_endo -80.08 73.86 5.82 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.717 2.278 . . . . 0.0 112.37 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 33' ' ' PRO . 80.1 m-20 -146.1 9.63 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.956 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -89.86 -26.32 20.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.78 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.76 140.69 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.188 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 41' ' ' ARG . 42.2 t -64.19 146.68 53.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.391 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 39' ' ' ALA . 24.1 pt20 -49.57 -43.97 46.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.421 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.444 ' N ' ' CG ' ' A' ' 38' ' ' GLN . . . -66.16 -53.8 33.14 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.414 -0.514 . . . . 0.0 109.932 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 44' ' ' VAL . 88.7 m -64.44 -22.6 67.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.301 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 37' ' ' SER . 61.7 ttp180 -69.16 -42.56 75.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.55 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -66.26 -37.53 85.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.809 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -64.96 -42.96 94.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.455 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 40' ' ' THR . 54.9 t -62.3 -48.14 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.427 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -53.06 -48.16 67.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.476 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -69.3 -40.3 77.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.43 ' O ' HG12 ' A' ' 51' ' ' VAL . . . -66.82 -21.95 66.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.778 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.7 97.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.031 0.443 . . . . 0.0 110.707 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -75.45 -38.46 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.619 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -61.8 -46.45 89.47 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.77 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 47' ' ' ALA . 8.8 p -73.82 -23.5 19.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.809 0.338 . . . . 0.0 110.31 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 51.52 59.13 8.81 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.7 t80 . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 121.123 0.487 . . . . 0.0 110.207 179.683 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 120.756 0.312 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.553 HG22 ' N ' ' A' ' 12' ' ' MET . 99.3 m -145.0 162.28 37.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.247 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.553 ' N ' HG22 ' A' ' 11' ' ' THR . 90.5 mtp -55.6 -40.23 71.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.677 -179.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 53.0 pttt -61.51 -42.31 98.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.065 0.46 . . . . 0.0 110.174 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.457 ' N ' ' CG ' ' A' ' 13' ' ' LYS . 92.8 m-20 -62.32 -36.47 82.27 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.615 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.82 -41.86 90.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.375 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -51.8 -40.78 61.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.18 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.34 -42.89 87.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.057 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -76.43 -52.68 9.38 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.004 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.88 -13.13 61.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.094 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' ALA . 78.5 tttt 48.97 49.13 19.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.712 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 t -83.04 -79.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.463 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.415 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.3 OUTLIER 172.21 130.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.225 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -52.15 -39.17 59.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.631 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.94 -42.57 66.49 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.822 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 22' ' ' SER . 25.1 p -57.43 -63.11 1.34 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.445 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.4 HG21 ' HB2' ' A' ' 16' ' ' ALA . 53.3 t -59.97 -38.62 77.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.578 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -59.62 -44.26 93.51 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.766 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -79.65 -18.34 51.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.819 0.342 . . . . 0.0 110.792 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.68 -19.93 59.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.045 0.45 . . . . 0.0 110.913 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 30' ' ' LEU . 4.5 mm? -60.47 -39.5 87.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.409 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.8 mtt -110.16 -17.96 13.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.675 0.274 . . . . 0.0 110.604 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -139.88 75.41 30.38 Favored Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -78.93 59.2 7.26 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.844 2.363 . . . . 0.0 112.033 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -154.6 23.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -113.89 27.55 9.44 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -119.27 158.51 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.276 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' ARG . 16.8 m -58.32 151.7 19.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.384 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -52.77 -43.55 65.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.04 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.29 -53.66 45.46 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.016 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.492 ' O ' HG23 ' A' ' 44' ' ' VAL . 55.4 m -63.95 -22.25 66.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.443 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 37' ' ' SER . 75.3 ttt180 -65.79 -45.56 82.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.277 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -66.35 -41.35 89.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.981 0.419 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.48 -41.98 98.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.437 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 40' ' ' THR . 39.8 t -61.78 -48.19 89.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.925 0.393 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -50.97 -51.53 51.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.003 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -68.21 -40.35 82.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.579 ' O ' HG12 ' A' ' 51' ' ' VAL . . . -56.41 -23.05 35.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.39 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.73 87.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.122 0.487 . . . . 0.0 110.705 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -75.72 -39.69 56.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.82 -43.58 83.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.191 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 47' ' ' ALA . 7.4 p -73.32 -27.65 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.343 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.27 -32.44 4.69 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.541 ' H ' HG13 ' A' ' 51' ' ' VAL . 38.5 t80 . . . . . 0 CA--C 1.512 -0.49 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.819 0.342 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.8 p -140.29 148.67 41.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.606 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 53' ' ' TYR . 69.4 mtm -53.22 -34.14 55.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.393 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -63.94 -44.42 92.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.464 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -61.94 -35.91 79.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.988 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.14 -43.17 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.452 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -51.34 -39.58 57.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.182 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.29 -42.74 99.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.462 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.35 -41.44 76.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HB1' HG23 ' A' ' 21' ' ' VAL . . . -88.62 0.94 55.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.638 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 16' ' ' ALA . 47.4 tttp 39.51 30.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.16 0.505 . . . . 0.0 110.655 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.523 HG12 ' OG ' ' A' ' 22' ' ' SER . 37.9 t -69.48 -76.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.283 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.523 ' OG ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 176.07 124.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.538 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.1 m -61.87 -29.0 69.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.503 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.16 -47.44 20.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.128 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.4 p -57.72 -63.68 1.16 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.995 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.9 t -52.42 -35.94 20.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.165 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.3 m -65.89 -37.94 87.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.703 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.53 ' O ' ' N ' ' A' ' 32' ' ' ASN . 79.4 mtp85 -83.63 -16.67 44.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.016 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.17 -27.58 2.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.015 0.436 . . . . 0.0 110.484 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.7 mm? -91.28 -5.68 54.33 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.132 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.2 mmt -122.49 -56.53 1.79 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 28' ' ' ARG . 5.3 m120 -129.76 76.3 78.57 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.514 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -78.66 55.06 5.35 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.855 2.37 . . . . 0.0 112.038 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -130.81 5.3 4.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.601 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -99.32 -12.35 20.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.528 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.431 HG22 ' H ' ' A' ' 36' ' ' VAL . 3.9 m -80.55 134.59 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.545 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 41' ' ' ARG . 38.0 t -63.67 154.66 32.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.575 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -47.44 -48.61 26.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.331 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.1 53.07 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.498 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.9 m -63.71 -22.52 66.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.286 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 37' ' ' SER . 41.8 ttm180 -68.85 -42.09 77.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.79 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.76 -40.18 79.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -63.37 -44.61 94.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.532 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.94 -48.47 88.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.499 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -51.77 -48.99 63.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.263 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -70.79 -38.93 73.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.597 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.423 ' O ' HG12 ' A' ' 51' ' ' VAL . . . -60.07 -21.04 60.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.669 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.35 -46.53 73.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.09 0.471 . . . . 0.0 110.764 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 -75.16 -36.31 61.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.11 -45.25 89.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.856 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 47' ' ' ALA . 7.8 p -73.16 -17.63 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.47 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.07 50.31 18.27 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.598 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 55.7 t80 . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.761 0.315 . . . . 0.0 110.267 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.987 0.422 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.4 p -142.98 149.66 38.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.637 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 53' ' ' TYR . 85.7 mmm -52.68 -39.17 61.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -64.34 -45.36 88.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 110.779 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 66.8 t0 -61.8 -35.63 78.77 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.105 0.479 . . . . 0.0 110.664 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.65 -43.73 91.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.746 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.65 -39.91 74.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.382 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -69.97 -48.84 56.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.161 0.505 . . . . 0.0 110.708 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.83 -33.18 74.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.569 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -98.73 4.2 47.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.517 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt 42.93 41.54 2.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.623 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' ' 19' ' ' ALA . 59.7 t -70.0 -78.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.548 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.49 134.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.606 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -67.29 -26.69 66.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.592 ' HB1' HH12 ' A' ' 28' ' ' ARG . . . -79.71 -44.27 21.12 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.729 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.452 HG22 HH21 ' A' ' 28' ' ' ARG . 14.7 p -54.45 -62.85 1.39 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.817 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.8 p -51.27 -26.46 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.593 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -74.2 -32.34 63.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.619 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.592 HH12 ' HB1' ' A' ' 24' ' ' ALA . 95.1 mtm-85 -81.36 -19.01 43.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.579 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.32 -17.96 2.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.994 0.425 . . . . 0.0 110.825 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 30' ' ' LEU . 10.3 mp -85.64 -10.46 55.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.408 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 67.3 mtm -124.65 -36.2 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.766 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 31' ' ' MET . 9.6 m120 -167.69 96.62 0.62 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.463 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.628 ' C ' ' H ' ' A' ' 35' ' ' LYS . 58.3 Cg_endo -76.54 -22.57 12.09 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.928 2.418 . . . . 0.0 112.191 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -66.62 27.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.604 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.628 ' H ' ' C ' ' A' ' 33' ' ' PRO . 97.3 mttt -109.92 11.32 24.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.607 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -97.95 149.53 5.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.408 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' ARG . 36.2 t -58.62 151.48 20.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.713 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -50.3 -45.58 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.242 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.459 ' O ' ' OD1' ' A' ' 42' ' ' ASN . . . -61.85 -52.98 61.94 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.088 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 44' ' ' VAL . 52.5 m -66.04 -21.01 66.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.091 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 37' ' ' SER . 60.3 ttt85 -67.03 -47.86 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.548 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.469 ' ND2' ' N ' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -67.21 -38.33 85.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.444 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.469 ' N ' ' ND2' ' A' ' 42' ' ' ASN . 35.3 mmt180 -63.92 -41.08 97.76 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.438 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 40' ' ' THR . 38.8 t -61.93 -45.83 97.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.4 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -50.99 -51.01 57.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.229 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -69.08 -40.04 78.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.979 0.419 . . . . 0.0 110.676 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -20.62 66.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.766 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.56 -40.3 70.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.686 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -68.85 -40.6 79.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.364 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.78 -51.42 70.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.777 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.803 HG13 ' H ' ' A' ' 53' ' ' TYR . 6.2 p -78.47 -14.46 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.592 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.37 32.92 1.93 Allowed Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.803 ' H ' HG13 ' A' ' 51' ' ' VAL . 22.3 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.06 0.457 . . . . 0.0 110.159 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.638 0.256 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 13' ' ' LYS . 24.9 m -143.2 147.59 35.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.382 . . . . 0.0 110.489 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.8 tpp -54.03 -35.0 61.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.336 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' H ' HG22 ' A' ' 11' ' ' THR . 18.2 ttmm -64.33 -42.3 96.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.63 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.27 -34.15 76.01 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.03 -44.43 98.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.607 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.76 -41.05 66.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.071 0.462 . . . . 0.0 110.284 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.668 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.3 tt -62.25 -46.72 87.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.365 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -66.11 -39.11 89.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.776 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.446 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -85.15 -3.87 58.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.455 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.7 tttp 46.66 43.67 12.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.603 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.446 HG23 ' HB3' ' A' ' 19' ' ' ALA . 41.2 t -69.4 -75.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.45 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' ' OG1' ' A' ' 25' ' ' THR . 1.4 t 168.77 140.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.503 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 t -64.23 -32.09 73.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.751 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.05 -40.45 60.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 29' ' ' ALA . 15.3 p -58.02 -64.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.423 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.25 -30.68 13.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.852 0.358 . . . . 0.0 110.601 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.9 p -78.65 -39.15 37.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -83.73 -18.64 37.21 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -48.69 -51.42 28.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.597 -178.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.0 mt -70.8 -9.96 58.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.63 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.4 mtt -97.04 -52.08 3.99 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.73 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -109.29 170.24 5.6 Favored Pre-proline 0 C--O 1.234 0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.752 -179.508 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 32' ' ' ASN . 43.2 Cg_exo -55.64 -137.91 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.636 2.224 . . . . 0.0 112.086 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -87.15 71.87 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.569 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -66.2 -10.38 41.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.997 0.427 . . . . 0.0 110.55 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 m -76.34 156.32 5.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.031 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.3 m -70.45 157.03 38.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.771 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -51.36 -41.44 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.002 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.22 -53.75 50.81 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.874 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 44' ' ' VAL . 53.1 m -65.43 -22.73 66.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.027 0.442 . . . . 0.0 110.156 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -64.64 -49.65 70.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.368 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.83 -41.01 88.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.127 0.489 . . . . 0.0 110.894 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -62.43 -44.27 96.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.43 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 40' ' ' THR . 30.3 t -60.83 -46.85 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.479 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -51.73 -51.8 53.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -70.14 -42.15 72.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.613 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.431 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -63.87 -23.8 67.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.683 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.34 -40.11 81.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.995 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -69.08 -40.11 78.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.1 -49.26 78.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.756 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 47' ' ' ALA . 22.3 m -77.01 -16.6 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.596 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.37 46.19 11.37 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.422 ' H ' HG23 ' A' ' 51' ' ' VAL . 85.5 t80 . . . . . 0 C--N 1.327 -0.375 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.991 0.424 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.6 p -142.02 149.5 40.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.647 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 97.9 mmm -53.15 -34.9 58.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.483 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.06 -43.6 91.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.742 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -61.35 -36.33 79.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.98 -41.8 90.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.615 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.83 -46.42 60.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 mt -64.38 -39.99 94.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.61 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -61.79 -38.11 86.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.404 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -100.39 13.52 34.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.569 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.6 tttt 42.36 47.62 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.665 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 22' ' ' SER . 62.8 t -78.43 -81.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.717 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.475 ' O ' HG12 ' A' ' 26' ' ' VAL . 0.3 OUTLIER 164.72 138.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.335 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.2 p -72.72 -22.91 60.81 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.79 -58.01 3.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.45 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.743 HG23 ' N ' ' A' ' 26' ' ' VAL . 10.6 t -57.39 -56.69 18.61 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.832 0.707 . . . . 0.0 109.746 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.743 ' N ' HG23 ' A' ' 25' ' ' THR . 10.0 p -54.23 -33.04 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.175 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 m -71.63 -33.09 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.708 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -83.23 -22.19 33.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.649 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.8 -19.56 65.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.563 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -56.71 -40.09 75.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.468 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 31' ' ' MET . 3.2 ppp? -121.21 -15.2 8.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.615 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.71 73.65 80.92 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.957 0.408 . . . . 0.0 110.465 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.441 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 63.8 Cg_endo -79.69 55.93 5.84 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.79 2.327 . . . . 0.0 112.171 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 33' ' ' PRO . 99.9 m-20 -140.22 6.89 2.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.904 0.383 . . . . 0.0 110.513 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -101.49 -21.21 14.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.694 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.43 139.83 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.487 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 41' ' ' ARG . 41.9 t -60.74 148.04 40.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.534 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -47.1 -50.51 19.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.466 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.42 -53.75 47.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.498 ' O ' HG22 ' A' ' 44' ' ' VAL . 89.1 m -63.35 -22.22 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.555 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 37' ' ' SER . 74.6 ttt-85 -69.55 -40.88 76.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -72.69 -42.77 63.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.02 0.438 . . . . 0.0 110.63 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -58.84 -51.5 69.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.055 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.516 HG23 ' N ' ' A' ' 45' ' ' GLU . 34.7 m -59.88 -44.03 93.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.516 ' N ' HG23 ' A' ' 44' ' ' VAL . 47.6 tp10 -51.33 -50.74 58.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.368 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -71.91 -39.06 69.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.933 0.397 . . . . 0.0 110.945 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 -22.04 66.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.629 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.93 -42.05 81.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.764 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -65.78 -40.72 92.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.488 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -55.73 -49.36 73.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 53' ' ' TYR . 35.1 m -75.86 -15.97 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.779 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.51 40.86 40.34 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.42 ' H ' HG23 ' A' ' 51' ' ' VAL . 37.3 t80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.947 0.403 . . . . 0.0 110.314 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.762 0.315 . . . . 70.96 110.455 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.94 149.14 44.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 140.81 110.456 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.8 mmm -50.91 -36.23 37.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 448.19 110.629 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -65.31 -41.38 94.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 469.32 110.617 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.04 -39.08 80.87 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.723 -0.391 . . . . 290.03 110.1 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.423 ' CG2' HG11 ' A' ' 51' ' ' VAL . 91.9 t -62.35 -41.32 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.386 -0.37 . . . . 17.77 110.811 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.91 -45.02 50.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.268 -0.424 . . . . 12.7 110.159 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -65.5 -40.36 92.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 192.17 110.417 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -66.99 -37.66 84.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.232 -0.44 . . . . 644.09 110.998 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.512 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -98.0 15.8 22.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.399 . . . . 18.68 110.219 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' ALA . 7.0 mttt 35.73 44.43 0.22 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.653 -0.703 . . . . 644.24 110.428 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' A' ' 19' ' ' ALA . 63.5 t -71.0 -82.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.454 . . . . 26.75 110.287 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.447 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER 167.46 131.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 154.99 110.243 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -28.54 68.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.926 -0.579 . . . . 155.31 111.35 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.89 -45.27 24.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.172 0.511 . . . . 22.32 110.441 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 22' ' ' SER . 14.7 p -54.75 -58.11 8.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.551 -0.75 . . . . 77.68 110.314 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -33.22 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.123 -0.49 . . . . 192.93 110.78 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -71.24 -38.21 71.94 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.884 0.374 . . . . 191.53 110.341 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.476 HH21 ' HE3' ' A' ' 35' ' ' LYS . 59.2 mtp85 -84.48 -19.3 33.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.777 -0.647 . . . . 998.51 110.259 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.65 -18.66 4.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.041 -0.527 . . . . 78.53 110.666 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.09 -8.35 55.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 402.96 110.397 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 38.7 mtt -121.97 -40.59 2.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.172 -0.467 . . . . 576.53 110.466 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -134.16 78.63 58.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.807 -0.633 . . . . 428.43 110.144 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.48 54.94 3.52 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.4 2.067 . . . . 467.36 111.849 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.48 23.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 999.99 110.842 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.476 ' HE3' HH21 ' A' ' 28' ' ' ARG . 18.7 mttm -111.62 8.39 20.84 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.54 -0.3 . . . . 622.55 110.439 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -93.42 143.4 11.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 110.046 -0.353 . . . . 148.07 110.046 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 41' ' ' ARG . 8.5 t -57.57 144.19 38.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 118.51 110.127 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -48.25 -50.14 30.77 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.739 -0.385 . . . . 543.68 110.339 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.61 -54.63 40.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 26.92 110.111 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.0 m -63.16 -25.04 68.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.762 -0.654 . . . . 28.9 110.831 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 37' ' ' SER . 79.7 ttt180 -67.87 -43.33 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.964 0.412 . . . . 865.62 110.336 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.69 -36.52 84.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 319.05 110.421 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HD3' HH11 ' A' ' 43' ' ' ARG . 10.8 mtt180 -67.86 -49.15 63.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 563.83 110.296 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.4 t -52.71 -51.53 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 98.99 110.495 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -50.38 -49.79 53.35 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.561 -0.456 . . . . 529.96 110.487 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -71.78 -40.02 69.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.813 0.339 . . . . 569.55 110.824 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -63.58 -26.38 68.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.255 -0.429 . . . . 19.74 111.118 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.31 -36.69 82.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.005 0.431 . . . . 31.44 110.387 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -74.6 -41.2 60.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.955 -0.566 . . . . 913.89 110.764 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -55.7 -42.02 74.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 358.91 110.786 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.635 HG23 ' H ' ' A' ' 53' ' ' TYR . 19.5 m -76.66 -18.86 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.529 . . . . 169.52 110.158 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.42 11.53 53.06 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.843 -0.903 . . . . 67.89 110.843 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.635 ' H ' HG23 ' A' ' 51' ' ' VAL . 65.3 t80 . . . . . 0 C--N 1.324 -0.517 0 N-CA-C 110.016 -0.365 . . . . 526.38 110.016 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.85 177.67 8.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.238 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.4 p -140.27 145.89 37.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.882 0.373 . . . . 0.0 110.526 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -51.47 -33.74 32.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -65.0 -44.12 90.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.631 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 65.8 t0 -59.65 -37.14 77.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.169 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.56 -42.34 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.377 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -52.05 -40.91 61.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.191 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.49 -43.46 98.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.323 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -62.2 -41.69 98.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.774 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.477 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -95.39 4.24 53.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.332 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' ALA . 99.0 mttt 43.74 43.71 5.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.009 0.433 . . . . 0.0 110.592 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 19' ' ' ALA . 46.6 t -68.91 -77.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.491 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.4 t 167.36 139.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.647 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.7 p -67.53 -28.02 67.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.654 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.43 -40.15 36.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 p -56.98 -64.46 0.87 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.058 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.34 -26.61 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.324 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 t -71.74 -44.21 64.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.855 0.36 . . . . 0.0 110.956 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' MET . 96.2 mtt-85 -83.91 -18.67 36.6 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.3 -47.3 36.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.982 0.42 . . . . 0.0 110.474 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 30' ' ' LEU . 4.3 mm? -73.57 -7.65 52.77 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.397 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' ARG . 86.9 mtp -102.92 -50.97 3.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.988 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.554 HD22 ' C ' ' A' ' 32' ' ' ASN . 0.2 OUTLIER -168.81 88.76 0.63 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.712 -179.763 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.67 121.36 9.91 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.673 2.248 . . . . 0.0 112.179 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 60.4 t0 -173.76 20.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.936 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -129.47 -4.24 4.81 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.418 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 t -91.39 126.38 44.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.981 0.42 . . . . 0.0 110.309 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 41' ' ' ARG . 37.0 t -66.84 147.46 53.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.407 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -49.29 -47.92 46.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.381 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.89 -53.03 60.47 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.142 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 44' ' ' VAL . 70.2 m -65.51 -22.04 66.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 37' ' ' SER . 44.2 ttm180 -69.4 -43.06 74.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.546 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -69.13 -39.8 78.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.04 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 85.5 mmt-85 -65.65 -42.39 91.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.468 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 40' ' ' THR . 46.3 t -63.03 -47.67 91.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.223 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -52.08 -45.26 64.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.12 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -69.95 -39.6 75.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.45 -23.9 61.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.766 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' VAL . . . -69.72 -36.88 76.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.624 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -70.41 -41.01 73.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.673 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -51.43 -45.03 62.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.701 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.477 HG23 ' H ' ' A' ' 53' ' ' TYR . 19.6 m -75.45 -6.98 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.502 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.07 -19.28 10.37 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.477 ' H ' HG23 ' A' ' 51' ' ' VAL . 90.9 m-85 -100.97 114.59 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.263 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.67 ' N ' ' CD ' ' A' ' 55' ' ' PRO . 8.8 mt -93.46 -34.29 0.32 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.494 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 54' ' ' LEU . 48.2 Cg_exo . . . . . 0 N--CA 1.494 1.545 0 C-N-CA 122.283 1.989 . . . . 0.0 111.685 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.46 171.34 11.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.307 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 13' ' ' LYS . 26.3 m -143.1 148.18 36.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.617 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.5 mtp -54.02 -36.24 62.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.337 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' H ' HG22 ' A' ' 11' ' ' THR . 7.6 ttpm? -61.87 -47.82 83.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 110.371 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -58.54 -39.49 80.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.359 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.7 t -58.37 -42.92 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.455 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -52.78 -39.49 62.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.32 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.8 tp -61.39 -43.97 97.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.88 -40.38 91.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.469 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -95.85 10.71 36.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 16' ' ' ALA . 21.0 pttp 33.55 45.22 0.09 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.838 0.352 . . . . 0.0 111.026 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' ' 19' ' ' ALA . 58.8 t -68.44 -77.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.185 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t 170.25 133.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.477 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.422 ' O ' ' OG ' ' A' ' 27' ' ' SER . 23.7 m -65.06 -29.04 69.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.28 -43.07 34.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.6 p -56.87 -64.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.535 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.96 -30.66 39.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.632 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 23' ' ' THR . 27.4 m -71.52 -42.28 68.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.789 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -82.59 -19.18 38.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.71 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.481 ' C ' ' H ' ' A' ' 31' ' ' MET . . . -48.83 -49.84 37.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.639 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.5 mt -55.74 -5.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.56 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.481 ' H ' ' C ' ' A' ' 29' ' ' ALA . 79.6 mmm -122.24 -39.73 2.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.646 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -151.82 84.72 4.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.576 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -80.15 70.22 7.61 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.771 2.314 . . . . 0.0 112.218 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.8 p30 -150.91 15.61 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -100.53 -11.13 20.37 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.405 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t -75.0 141.67 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.533 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 41' ' ' ARG . 42.3 t -62.68 145.72 53.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.548 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -47.46 -49.87 24.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.499 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.26 -53.5 54.28 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.308 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.401 ' O ' HG12 ' A' ' 44' ' ' VAL . 91.3 m -65.14 -21.67 66.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.473 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 37' ' ' SER . 61.8 ttp180 -68.73 -42.04 78.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.495 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -72.56 -41.26 65.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.542 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -61.37 -50.34 73.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.522 HG13 ' N ' ' A' ' 45' ' ' GLU . 10.8 p -59.23 -43.68 90.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.505 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.522 ' N ' HG13 ' A' ' 44' ' ' VAL . 82.4 mt-10 -51.66 -46.08 63.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.247 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -68.72 -37.01 79.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.77 -21.92 60.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.655 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -68.92 -38.01 79.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.599 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -70.2 -37.94 75.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.22 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -54.1 -44.26 71.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.694 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.498 HG23 ' H ' ' A' ' 53' ' ' TYR . 30.5 m -77.03 -0.45 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.761 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.11 24.88 45.17 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.498 ' H ' HG23 ' A' ' 51' ' ' VAL . 39.9 t80 -142.55 114.92 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.41 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.492 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . 2.0 pp -156.65 147.83 16.68 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.442 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo . . . . . 0 C--N 1.307 -1.63 0 C-N-CA 122.87 2.38 . . . . 0.0 112.256 179.424 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.98 179.02 7.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 m -142.74 147.51 35.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.608 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 93.5 mmm -51.12 -36.51 40.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.364 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.62 -43.3 97.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.806 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -61.76 -35.46 78.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.375 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.56 -43.74 95.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.472 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.0 -42.3 62.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -63.58 -43.15 97.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.248 179.604 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -64.75 -39.9 94.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.509 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -91.97 3.0 56.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.747 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.7 mttm 43.12 42.07 3.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.724 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.501 HG23 ' HB3' ' A' ' 19' ' ' ALA . 15.8 t -68.89 -75.65 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.59 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.5 t 167.44 138.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.56 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.8 m -63.62 -28.41 69.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.406 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.79 -40.97 38.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.578 HG22 HH21 ' A' ' 28' ' ' ARG . 9.7 p -58.01 -64.21 0.99 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.73 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -54.51 -30.62 21.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.261 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.4 m -68.07 -40.21 82.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.735 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.578 HH21 HG22 ' A' ' 25' ' ' THR . 87.5 mtm180 -67.01 -35.76 80.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.77 -19.16 0.09 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.522 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 28' ' ' ARG . 68.5 mt -94.15 -28.34 15.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' ARG . 66.9 mtt -95.71 -42.52 8.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.024 0.44 . . . . 0.0 110.674 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -136.58 159.02 72.1 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.576 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -42.53 159.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.662 2.241 . . . . 0.0 111.959 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.535 ' C ' ' H ' ' A' ' 36' ' ' VAL . 47.1 p-10 -78.24 72.22 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.504 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -71.79 29.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.535 ' H ' ' C ' ' A' ' 34' ' ' ASP . 16.6 m -64.55 177.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.49 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.4 m -64.79 146.7 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -48.61 -46.65 39.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.409 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.07 -53.88 46.78 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.598 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 44' ' ' VAL . 70.0 m -63.93 -24.27 67.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.113 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 37' ' ' SER . 72.3 ttt180 -65.4 -45.36 84.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.751 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.38 -41.26 80.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -62.92 -44.61 95.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.641 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 40' ' ' THR . 48.8 t -61.42 -48.94 86.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.666 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -51.36 -49.95 60.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.497 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -70.67 -40.19 73.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.91 -24.42 67.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.717 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.04 94.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.745 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -71.18 -36.63 72.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.689 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -60.15 -45.29 93.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.627 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.429 HG23 ' H ' ' A' ' 53' ' ' TYR . 34.1 m -75.29 -17.99 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.684 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.38 41.52 93.22 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.429 ' H ' HG23 ' A' ' 51' ' ' VAL . 20.9 t80 -85.8 138.02 32.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.53 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.1 mt -117.5 85.16 20.11 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.612 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo . . . . . 0 C--N 1.304 -1.779 0 C-N-CA 122.848 2.365 . . . . 0.0 112.006 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.1 126.18 44.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.602 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 13' ' ' LYS . 14.1 m -64.18 144.59 57.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.46 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.6 ttt -57.87 -27.69 63.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' H ' HG22 ' A' ' 11' ' ' THR . 25.2 ttpp -63.09 -40.78 98.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.406 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.62 -35.31 79.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.033 0.445 . . . . 0.0 110.652 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.454 ' CG2' HG11 ' A' ' 51' ' ' VAL . 79.2 t -60.15 -43.78 93.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.604 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -53.89 -40.11 66.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.463 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.54 -44.15 97.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.492 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.92 -35.78 81.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.09 0.471 . . . . 0.0 110.681 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.19 8.18 45.06 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.705 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' ALA . 30.2 ttpt 40.34 46.31 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.944 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.408 ' O ' ' CB ' ' A' ' 22' ' ' SER . 38.5 t -68.75 -78.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.56 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.442 ' O ' ' OG1' ' A' ' 25' ' ' THR . 1.1 m 168.05 131.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.459 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.4 m -61.17 -28.38 69.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.779 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.534 ' HB1' ' NH1' ' A' ' 28' ' ' ARG . . . -77.51 -41.9 37.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ALA . 18.0 p -57.38 -64.43 0.89 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.265 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.96 -32.31 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.732 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.3 t -70.68 -40.9 72.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.297 0.57 . . . . 0.0 111.43 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.534 ' NH1' ' HB1' ' A' ' 24' ' ' ALA . 77.9 mtt85 -85.99 -20.74 28.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.426 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -60.65 -19.91 59.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.941 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mp -47.07 -46.55 22.57 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.631 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 32' ' ' ASN . 62.4 mtt -122.43 -63.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.489 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 31' ' ' MET . 1.8 m120 -37.26 157.49 0.08 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.609 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.4 -157.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.297 -2.172 0 C-N-CA 122.762 2.308 . . . . 0.0 112.163 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -101.99 72.46 1.33 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -66.96 -1.11 3.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.545 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.61 145.97 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.376 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 41' ' ' ARG . 39.2 t -55.2 142.74 30.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -46.87 -49.85 19.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.411 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.6 -53.57 52.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.441 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 44' ' ' VAL . 27.6 m -65.24 -21.0 66.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.981 0.42 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.554 ' N ' ' O ' ' A' ' 37' ' ' SER . 74.2 ttp85 -69.87 -42.67 73.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.86 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -68.14 -37.17 80.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.638 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -65.04 -42.86 93.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.412 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 40' ' ' THR . 54.3 t -62.23 -47.03 95.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -52.09 -49.4 63.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.015 0.436 . . . . 0.0 110.863 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.08 -37.04 72.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.017 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.29 -20.81 63.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.775 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.19 -41.51 66.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.747 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -67.49 -41.05 85.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.497 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -52.33 -43.25 64.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.353 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.571 HG23 ' H ' ' A' ' 53' ' ' TYR . 29.0 m -87.13 -2.0 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.551 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 41.76 27.7 0.36 Allowed Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.571 ' H ' HG23 ' A' ' 51' ' ' VAL . 75.5 t80 -139.42 114.61 9.65 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.24 0.543 . . . . 0.0 110.188 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.676 ' H ' ' CD ' ' A' ' 55' ' ' PRO . 2.1 mt -103.84 -39.87 0.19 Allowed Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.934 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.676 ' CD ' ' H ' ' A' ' 54' ' ' LEU . 31.4 Cg_exo . . . . . 0 C--N 1.3 -1.995 0 C-N-CA 122.753 2.302 . . . . 0.0 112.031 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.41 173.15 7.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.332 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.7 p -141.3 148.76 40.29 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.511 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 63.5 ttp -53.77 -37.2 63.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.343 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -63.58 -40.73 97.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.362 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -64.38 -35.38 80.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.244 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.4 t -61.63 -43.66 97.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.902 0.382 . . . . 0.0 110.446 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -52.78 -36.32 58.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.446 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.43 -42.34 91.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.971 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -64.82 -34.31 78.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.45 1.74 49.52 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.528 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 16' ' ' ALA . 99.5 mttt 44.28 50.36 7.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' ' CB ' ' A' ' 22' ' ' SER . 21.5 t -69.85 -81.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.475 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.5 t 166.61 136.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 p -63.95 -26.35 68.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.496 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.5 -41.65 38.61 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.145 0.498 . . . . 0.0 111.113 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.2 p -56.9 -63.66 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.601 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 t -59.95 -31.82 48.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.416 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.0 t -68.61 -43.06 77.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.975 0.417 . . . . 0.0 110.789 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -82.72 -17.66 43.57 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.25 -17.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' N ' HD12 ' A' ' 30' ' ' LEU . 9.9 mp -89.52 -8.65 52.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.849 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.502 ' N ' ' SD ' ' A' ' 31' ' ' MET . 1.1 mpt? -123.02 -38.74 2.57 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.809 0.338 . . . . 0.0 111.177 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -153.57 84.59 4.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.654 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 69.4 Cg_endo -80.08 73.86 5.82 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.717 2.278 . . . . 0.0 112.37 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 33' ' ' PRO . 80.1 m-20 -146.1 9.63 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.956 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -89.86 -26.32 20.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.78 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.76 140.69 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.188 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 41' ' ' ARG . 42.2 t -64.19 146.68 53.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.391 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 39' ' ' ALA . 24.1 pt20 -49.57 -43.97 46.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.421 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.444 ' N ' ' CG ' ' A' ' 38' ' ' GLN . . . -66.16 -53.8 33.14 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.414 -0.514 . . . . 0.0 109.932 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 44' ' ' VAL . 88.7 m -64.44 -22.6 67.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.301 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 37' ' ' SER . 61.7 ttp180 -69.16 -42.56 75.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.55 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -66.26 -37.53 85.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.809 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -64.96 -42.96 94.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.455 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 40' ' ' THR . 54.9 t -62.3 -48.14 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.427 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -53.06 -48.16 67.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.476 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -69.3 -40.3 77.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.43 ' O ' HG12 ' A' ' 51' ' ' VAL . . . -66.82 -21.95 66.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.778 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.7 97.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.031 0.443 . . . . 0.0 110.707 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -75.45 -38.46 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.619 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -61.8 -46.45 89.47 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.77 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 47' ' ' ALA . 8.8 p -73.82 -23.5 19.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.809 0.338 . . . . 0.0 110.31 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 51.52 59.13 8.81 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.488 ' CZ ' ' C ' ' A' ' 55' ' ' PRO . 64.7 t80 -73.19 113.32 10.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.123 0.487 . . . . 0.0 110.207 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.692 ' H ' ' CD ' ' A' ' 55' ' ' PRO . 4.4 mt -111.0 -36.71 0.12 Allowed Pre-proline 0 N--CA 1.467 0.417 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.917 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.692 ' CD ' ' H ' ' A' ' 54' ' ' LEU . 58.8 Cg_endo . . . . . 0 C--N 1.319 -0.99 0 C-N-CA 122.327 2.018 . . . . 0.0 111.765 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.28 179.11 7.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.24 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.553 HG22 ' N ' ' A' ' 12' ' ' MET . 99.3 m -145.0 162.28 37.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.247 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.553 ' N ' HG22 ' A' ' 11' ' ' THR . 90.5 mtp -55.6 -40.23 71.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.677 -179.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 53.0 pttt -61.51 -42.31 98.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.065 0.46 . . . . 0.0 110.174 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.457 ' N ' ' CG ' ' A' ' 13' ' ' LYS . 92.8 m-20 -62.32 -36.47 82.27 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.615 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.82 -41.86 90.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.375 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -51.8 -40.78 61.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.18 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.34 -42.89 87.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.057 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -76.43 -52.68 9.38 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.004 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.88 -13.13 61.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.094 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' ALA . 78.5 tttt 48.97 49.13 19.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.712 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 t -83.04 -79.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.463 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.415 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.3 OUTLIER 172.21 130.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.225 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -52.15 -39.17 59.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.631 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.94 -42.57 66.49 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.822 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 22' ' ' SER . 25.1 p -57.43 -63.11 1.34 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.445 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.4 HG21 ' HB2' ' A' ' 16' ' ' ALA . 53.3 t -59.97 -38.62 77.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.578 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -59.62 -44.26 93.51 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.766 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -79.65 -18.34 51.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.819 0.342 . . . . 0.0 110.792 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.68 -19.93 59.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.045 0.45 . . . . 0.0 110.913 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 30' ' ' LEU . 4.5 mm? -60.47 -39.5 87.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.409 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.8 mtt -110.16 -17.96 13.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.675 0.274 . . . . 0.0 110.604 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -139.88 75.41 30.38 Favored Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -78.93 59.2 7.26 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.844 2.363 . . . . 0.0 112.033 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -154.6 23.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -113.89 27.55 9.44 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -119.27 158.51 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.276 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' ARG . 16.8 m -58.32 151.7 19.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.384 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -52.77 -43.55 65.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.04 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.29 -53.66 45.46 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.016 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.492 ' O ' HG23 ' A' ' 44' ' ' VAL . 55.4 m -63.95 -22.25 66.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.443 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 37' ' ' SER . 75.3 ttt180 -65.79 -45.56 82.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.277 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -66.35 -41.35 89.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.981 0.419 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.48 -41.98 98.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.437 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 40' ' ' THR . 39.8 t -61.78 -48.19 89.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.925 0.393 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -50.97 -51.53 51.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.003 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -68.21 -40.35 82.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.579 ' O ' HG12 ' A' ' 51' ' ' VAL . . . -56.41 -23.05 35.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.39 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.73 87.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.122 0.487 . . . . 0.0 110.705 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -75.72 -39.69 56.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.82 -43.58 83.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.191 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 47' ' ' ALA . 7.4 p -73.32 -27.65 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.343 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.27 -32.44 4.69 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.541 ' H ' HG13 ' A' ' 51' ' ' VAL . 38.5 t80 -46.75 148.63 0.99 Allowed 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.3 mt -134.5 148.09 66.07 Favored Pre-proline 0 N--CA 1.464 0.263 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.007 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo . . . . . 0 C--N 1.313 -1.294 0 C-N-CA 122.392 2.061 . . . . 0.0 112.111 179.667 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.61 176.78 7.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.394 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.8 p -140.29 148.67 41.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.606 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 53' ' ' TYR . 69.4 mtm -53.22 -34.14 55.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.393 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -63.94 -44.42 92.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.464 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -61.94 -35.91 79.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.988 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.14 -43.17 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.452 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' LYS . . . -51.34 -39.58 57.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.182 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.29 -42.74 99.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.462 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.35 -41.44 76.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HB1' HG23 ' A' ' 21' ' ' VAL . . . -88.62 0.94 55.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.638 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 16' ' ' ALA . 47.4 tttp 39.51 30.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.16 0.505 . . . . 0.0 110.655 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.523 HG12 ' OG ' ' A' ' 22' ' ' SER . 37.9 t -69.48 -76.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.283 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.523 ' OG ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 176.07 124.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.538 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.1 m -61.87 -29.0 69.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.503 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.16 -47.44 20.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.128 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.4 p -57.72 -63.68 1.16 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.995 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.9 t -52.42 -35.94 20.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.165 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.3 m -65.89 -37.94 87.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.703 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.53 ' O ' ' N ' ' A' ' 32' ' ' ASN . 79.4 mtp85 -83.63 -16.67 44.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.016 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.17 -27.58 2.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.015 0.436 . . . . 0.0 110.484 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.7 mm? -91.28 -5.68 54.33 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.132 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.2 mmt -122.49 -56.53 1.79 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 28' ' ' ARG . 5.3 m120 -129.76 76.3 78.57 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.514 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -78.66 55.06 5.35 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.855 2.37 . . . . 0.0 112.038 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -130.81 5.3 4.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.601 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -99.32 -12.35 20.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.528 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.431 HG22 ' H ' ' A' ' 36' ' ' VAL . 3.9 m -80.55 134.59 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.545 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 41' ' ' ARG . 38.0 t -63.67 154.66 32.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.575 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -47.44 -48.61 26.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.331 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.1 53.07 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.498 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.9 m -63.71 -22.52 66.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.286 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 37' ' ' SER . 41.8 ttm180 -68.85 -42.09 77.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.79 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.76 -40.18 79.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -63.37 -44.61 94.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.532 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.94 -48.47 88.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.499 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -51.77 -48.99 63.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.263 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -70.79 -38.93 73.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.597 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.423 ' O ' HG12 ' A' ' 51' ' ' VAL . . . -60.07 -21.04 60.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.669 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.35 -46.53 73.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.09 0.471 . . . . 0.0 110.764 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 -75.16 -36.31 61.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.11 -45.25 89.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.856 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 47' ' ' ALA . 7.8 p -73.16 -17.63 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.47 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.07 50.31 18.27 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.598 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 55.7 t80 -92.23 120.17 32.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.761 0.315 . . . . 0.0 110.267 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.6 mt -120.15 94.69 48.82 Favored Pre-proline 0 N--CA 1.463 0.198 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.653 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 C--N 1.31 -1.472 0 C-N-CA 122.555 2.17 . . . . 0.0 111.878 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.21 161.57 23.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.378 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.4 p -142.98 149.66 38.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.637 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 53' ' ' TYR . 85.7 mmm -52.68 -39.17 61.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -64.34 -45.36 88.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 110.779 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 66.8 t0 -61.8 -35.63 78.77 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.105 0.479 . . . . 0.0 110.664 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.65 -43.73 91.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.746 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.65 -39.91 74.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.382 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -69.97 -48.84 56.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.161 0.505 . . . . 0.0 110.708 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.83 -33.18 74.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.569 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -98.73 4.2 47.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.517 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt 42.93 41.54 2.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.623 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' ' 19' ' ' ALA . 59.7 t -70.0 -78.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.548 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.49 134.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.606 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -67.29 -26.69 66.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.592 ' HB1' HH12 ' A' ' 28' ' ' ARG . . . -79.71 -44.27 21.12 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.729 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.452 HG22 HH21 ' A' ' 28' ' ' ARG . 14.7 p -54.45 -62.85 1.39 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.817 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.8 p -51.27 -26.46 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.593 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -74.2 -32.34 63.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.619 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.592 HH12 ' HB1' ' A' ' 24' ' ' ALA . 95.1 mtm-85 -81.36 -19.01 43.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.579 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.32 -17.96 2.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.994 0.425 . . . . 0.0 110.825 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 30' ' ' LEU . 10.3 mp -85.64 -10.46 55.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.408 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 67.3 mtm -124.65 -36.2 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.766 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 31' ' ' MET . 9.6 m120 -167.69 96.62 0.62 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.463 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.628 ' C ' ' H ' ' A' ' 35' ' ' LYS . 58.3 Cg_endo -76.54 -22.57 12.09 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.928 2.418 . . . . 0.0 112.191 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -66.62 27.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.604 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.628 ' H ' ' C ' ' A' ' 33' ' ' PRO . 97.3 mttt -109.92 11.32 24.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.607 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -97.95 149.53 5.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.408 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' ARG . 36.2 t -58.62 151.48 20.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.713 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -50.3 -45.58 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.242 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.459 ' O ' ' OD1' ' A' ' 42' ' ' ASN . . . -61.85 -52.98 61.94 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.088 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 44' ' ' VAL . 52.5 m -66.04 -21.01 66.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.091 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 37' ' ' SER . 60.3 ttt85 -67.03 -47.86 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.548 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.469 ' ND2' ' N ' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -67.21 -38.33 85.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.444 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.469 ' N ' ' ND2' ' A' ' 42' ' ' ASN . 35.3 mmt180 -63.92 -41.08 97.76 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.438 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 40' ' ' THR . 38.8 t -61.93 -45.83 97.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.4 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -50.99 -51.01 57.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.229 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -69.08 -40.04 78.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.979 0.419 . . . . 0.0 110.676 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -20.62 66.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.766 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.56 -40.3 70.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.686 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -68.85 -40.6 79.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.364 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.78 -51.42 70.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.777 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.803 HG13 ' H ' ' A' ' 53' ' ' TYR . 6.2 p -78.47 -14.46 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.592 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.37 32.92 1.93 Allowed Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.803 ' H ' HG13 ' A' ' 51' ' ' VAL . 22.3 t80 -141.81 114.76 8.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.06 0.457 . . . . 0.0 110.159 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.721 ' N ' ' CD ' ' A' ' 55' ' ' PRO . 8.6 mt -100.7 -34.64 0.23 Allowed Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.011 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 54' ' ' LEU . 58.7 Cg_endo . . . . . 0 C--N 1.309 -1.539 0 C-N-CA 122.906 2.404 . . . . 0.0 112.084 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.56 -177.68 5.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.389 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 13' ' ' LYS . 24.9 m -143.2 147.59 35.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.382 . . . . 0.0 110.489 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.8 tpp -54.03 -35.0 61.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.336 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' H ' HG22 ' A' ' 11' ' ' THR . 18.2 ttmm -64.33 -42.3 96.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.63 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.27 -34.15 76.01 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.03 -44.43 98.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.607 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.76 -41.05 66.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.071 0.462 . . . . 0.0 110.284 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.668 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.3 tt -62.25 -46.72 87.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.365 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -66.11 -39.11 89.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.776 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.446 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -85.15 -3.87 58.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.455 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.7 tttp 46.66 43.67 12.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.603 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.446 HG23 ' HB3' ' A' ' 19' ' ' ALA . 41.2 t -69.4 -75.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.45 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' ' OG1' ' A' ' 25' ' ' THR . 1.4 t 168.77 140.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.503 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 t -64.23 -32.09 73.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.751 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.05 -40.45 60.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 29' ' ' ALA . 15.3 p -58.02 -64.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.423 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.25 -30.68 13.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.852 0.358 . . . . 0.0 110.601 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.9 p -78.65 -39.15 37.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -83.73 -18.64 37.21 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -48.69 -51.42 28.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.597 -178.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.0 mt -70.8 -9.96 58.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.63 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.4 mtt -97.04 -52.08 3.99 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.73 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -109.29 170.24 5.6 Favored Pre-proline 0 C--O 1.234 0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.752 -179.508 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 32' ' ' ASN . 43.2 Cg_exo -55.64 -137.91 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.636 2.224 . . . . 0.0 112.086 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -87.15 71.87 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.569 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -66.2 -10.38 41.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.997 0.427 . . . . 0.0 110.55 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 m -76.34 156.32 5.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.031 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.3 m -70.45 157.03 38.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.771 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -51.36 -41.44 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.002 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.22 -53.75 50.81 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.874 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 44' ' ' VAL . 53.1 m -65.43 -22.73 66.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.027 0.442 . . . . 0.0 110.156 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -64.64 -49.65 70.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.368 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.83 -41.01 88.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.127 0.489 . . . . 0.0 110.894 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -62.43 -44.27 96.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.43 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 40' ' ' THR . 30.3 t -60.83 -46.85 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.479 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -51.73 -51.8 53.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -70.14 -42.15 72.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.613 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -63.87 -23.8 67.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.683 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.34 -40.11 81.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.995 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -69.08 -40.11 78.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.1 -49.26 78.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.756 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 47' ' ' ALA . 22.3 m -77.01 -16.6 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.596 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.37 46.19 11.37 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.422 ' H ' HG23 ' A' ' 51' ' ' VAL . 85.5 t80 -74.48 135.49 42.26 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 mt -131.37 148.77 71.44 Favored Pre-proline 0 C--O 1.232 0.152 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo . . . . . 0 C--N 1.312 -1.345 0 C-N-CA 122.382 2.055 . . . . 0.0 111.644 179.57 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.84 174.2 8.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.365 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.6 p -142.02 149.5 40.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.647 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 97.9 mmm -53.15 -34.9 58.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.483 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.06 -43.6 91.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.742 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -61.35 -36.33 79.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.98 -41.8 90.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.615 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.83 -46.42 60.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 mt -64.38 -39.99 94.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.61 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -61.79 -38.11 86.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.404 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -100.39 13.52 34.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.569 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.6 tttt 42.36 47.62 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.665 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 22' ' ' SER . 62.8 t -78.43 -81.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.717 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.475 ' O ' HG12 ' A' ' 26' ' ' VAL . 0.3 OUTLIER 164.72 138.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.335 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.2 p -72.72 -22.91 60.81 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.79 -58.01 3.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.45 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.743 HG23 ' N ' ' A' ' 26' ' ' VAL . 10.6 t -57.39 -56.69 18.61 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.832 0.707 . . . . 0.0 109.746 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.743 ' N ' HG23 ' A' ' 25' ' ' THR . 10.0 p -54.23 -33.04 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.175 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 m -71.63 -33.09 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.708 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -83.23 -22.19 33.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.649 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.8 -19.56 65.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.563 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -56.71 -40.09 75.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.468 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 31' ' ' MET . 3.2 ppp? -121.21 -15.2 8.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.615 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.71 73.65 80.92 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.957 0.408 . . . . 0.0 110.465 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.441 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 63.8 Cg_endo -79.69 55.93 5.84 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.79 2.327 . . . . 0.0 112.171 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 33' ' ' PRO . 99.9 m-20 -140.22 6.89 2.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.904 0.383 . . . . 0.0 110.513 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -101.49 -21.21 14.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.694 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.43 139.83 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.487 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 41' ' ' ARG . 41.9 t -60.74 148.04 40.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.534 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -47.1 -50.51 19.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.466 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.42 -53.75 47.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.498 ' O ' HG22 ' A' ' 44' ' ' VAL . 89.1 m -63.35 -22.22 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.555 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 37' ' ' SER . 74.6 ttt-85 -69.55 -40.88 76.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -72.69 -42.77 63.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.02 0.438 . . . . 0.0 110.63 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -58.84 -51.5 69.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.055 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.516 HG23 ' N ' ' A' ' 45' ' ' GLU . 34.7 m -59.88 -44.03 93.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.516 ' N ' HG23 ' A' ' 44' ' ' VAL . 47.6 tp10 -51.33 -50.74 58.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.368 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -71.91 -39.06 69.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.933 0.397 . . . . 0.0 110.945 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 -22.04 66.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.629 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.93 -42.05 81.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.764 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -65.78 -40.72 92.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.488 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -55.73 -49.36 73.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 53' ' ' TYR . 35.1 m -75.86 -15.97 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.779 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.51 40.86 40.34 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.42 ' H ' HG23 ' A' ' 51' ' ' VAL . 37.3 t80 -70.4 135.0 48.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.947 0.403 . . . . 0.0 110.314 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.2 mt -125.6 87.55 55.62 Favored Pre-proline 0 C--N 1.332 -0.162 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.617 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo . . . . . 0 C--N 1.306 -1.705 0 C-N-CA 122.671 2.247 . . . . 0.0 112.171 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.189 -0.671 . . . . 199.36 109.189 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.29 174.29 9.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 70.96 110.455 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.94 149.14 44.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 140.81 110.456 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.8 mmm -50.91 -36.23 37.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 448.19 110.629 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -65.31 -41.38 94.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 469.32 110.617 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.04 -39.08 80.87 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.723 -0.391 . . . . 290.03 110.1 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.423 ' CG2' HG11 ' A' ' 51' ' ' VAL . 91.9 t -62.35 -41.32 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.386 -0.37 . . . . 17.77 110.811 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.91 -45.02 50.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.268 -0.424 . . . . 12.7 110.159 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -65.5 -40.36 92.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 192.17 110.417 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -66.99 -37.66 84.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.232 -0.44 . . . . 644.09 110.998 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.512 ' HB3' HG23 ' A' ' 21' ' ' VAL . . . -98.0 15.8 22.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.399 . . . . 18.68 110.219 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' ALA . 7.0 mttt 35.73 44.43 0.22 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.653 -0.703 . . . . 644.24 110.428 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' A' ' 19' ' ' ALA . 63.5 t -71.0 -82.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.454 . . . . 26.75 110.287 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.447 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER 167.46 131.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 154.99 110.243 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -28.54 68.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.926 -0.579 . . . . 155.31 111.35 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.89 -45.27 24.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.172 0.511 . . . . 22.32 110.441 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 22' ' ' SER . 14.7 p -54.75 -58.11 8.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.551 -0.75 . . . . 77.68 110.314 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -33.22 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.123 -0.49 . . . . 192.93 110.78 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -71.24 -38.21 71.94 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.884 0.374 . . . . 191.53 110.341 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.476 HH21 ' HE3' ' A' ' 35' ' ' LYS . 59.2 mtp85 -84.48 -19.3 33.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.777 -0.647 . . . . 998.51 110.259 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.65 -18.66 4.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.041 -0.527 . . . . 78.53 110.666 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.09 -8.35 55.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 402.96 110.397 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 38.7 mtt -121.97 -40.59 2.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.172 -0.467 . . . . 576.53 110.466 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -134.16 78.63 58.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.807 -0.633 . . . . 428.43 110.144 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.48 54.94 3.52 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.4 2.067 . . . . 467.36 111.849 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.48 23.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 999.99 110.842 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.476 ' HE3' HH21 ' A' ' 28' ' ' ARG . 18.7 mttm -111.62 8.39 20.84 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.54 -0.3 . . . . 622.55 110.439 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -93.42 143.4 11.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 110.046 -0.353 . . . . 148.07 110.046 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 41' ' ' ARG . 8.5 t -57.57 144.19 38.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 118.51 110.127 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -48.25 -50.14 30.77 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.739 -0.385 . . . . 543.68 110.339 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.61 -54.63 40.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 26.92 110.111 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.0 m -63.16 -25.04 68.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.762 -0.654 . . . . 28.9 110.831 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 37' ' ' SER . 79.7 ttt180 -67.87 -43.33 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.964 0.412 . . . . 865.62 110.336 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.69 -36.52 84.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 319.05 110.421 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HD3' HH11 ' A' ' 43' ' ' ARG . 10.8 mtt180 -67.86 -49.15 63.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 563.83 110.296 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.4 t -52.71 -51.53 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 98.99 110.495 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -50.38 -49.79 53.35 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.561 -0.456 . . . . 529.96 110.487 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -71.78 -40.02 69.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.813 0.339 . . . . 569.55 110.824 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -63.58 -26.38 68.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.255 -0.429 . . . . 19.74 111.118 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.31 -36.69 82.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.005 0.431 . . . . 31.44 110.387 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -74.6 -41.2 60.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.955 -0.566 . . . . 913.89 110.764 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -55.7 -42.02 74.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 358.91 110.786 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.635 HG23 ' H ' ' A' ' 53' ' ' TYR . 19.5 m -76.66 -18.86 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.529 . . . . 169.52 110.158 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.42 11.53 53.06 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.843 -0.903 . . . . 67.89 110.843 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.635 ' H ' HG23 ' A' ' 51' ' ' VAL . 65.3 t80 -73.51 151.61 40.95 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.016 -0.365 . . . . 526.38 110.016 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.406 ' HG ' ' C ' ' A' ' 53' ' ' TYR . 19.0 mt -148.05 144.81 19.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 109.729 -0.471 . . . . 999.99 109.729 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 C--N 1.31 -1.481 0 C-N-CA 122.186 1.924 . . . . 999.99 112.066 179.644 . . . . . . . . 0 0 . 1 stop_ save_