data_2juz_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 2juz _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 ' 8' ' ' SER . . . . . . . . . . . . . 51.6 m . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 120.403 0.145 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.13 -29.63 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 173.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.41 -38.97 74.7 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.043 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -72.01 -43.36 65.15 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 16' ' ' VAL . 54.3 tp -59.05 -54.75 43.5 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.94 178.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.7 p -56.35 -37.52 70.13 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.405 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.72 94.21 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.829 0.347 . . . . 0.0 110.809 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.22 -50.31 69.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.7 t -65.93 -38.07 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.454 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -55.87 -47.64 76.97 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.821 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.652 ' O ' HG22 ' A' ' 22' ' ' VAL . 38.5 t70 -66.16 -48.22 71.48 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.571 ' SD ' ' HG3' ' B' ' 19' ' ' MET . 52.1 tpp -51.49 -46.65 63.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.079 0.466 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.8 mt -70.16 -44.1 78.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.552 ' O ' ' HG2' ' A' ' 25' ' ' LYS . . . -65.37 -35.0 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 0.0 111.433 -177.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.652 HG22 ' O ' ' A' ' 18' ' ' ASP . 92.2 t -70.01 -45.3 76.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.221 177.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 33' ' ' SER . 48.8 tp -61.78 -34.61 76.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.013 176.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.51 -33.26 75.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.271 177.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 42.1 mmtm -66.54 -44.27 82.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.786 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -75.04 -30.68 61.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 tptm 60.76 75.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.929 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.26 139.9 48.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.498 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -78.5 41.05 0.98 Allowed 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.184 2.589 . . . . 0.0 113.026 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.446 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 66.7 t 72.54 -53.54 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 123.223 0.609 . . . . 0.0 111.798 178.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.511 ' O ' HG13 ' A' ' 35' ' ' ILE . 25.6 t70 -56.93 -55.76 30.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.033 -177.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.2 mt -58.96 -41.6 87.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.022 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.408 ' HB3' HD12 ' A' ' 23' ' ' LEU . 1.5 p -66.93 -29.86 69.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.613 0.244 . . . . 0.0 111.501 -177.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 83.7 mt -74.89 -29.25 60.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.751 0.31 . . . . 0.0 110.335 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 31' ' ' ASP . 38.5 mt -72.88 -41.56 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.138 177.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.432 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.41 -42.04 95.16 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.132 0.491 . . . . 0.0 109.918 174.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.551 ' HG ' HD12 ' B' ' 37' ' ' LEU . 7.6 tt -61.36 -45.89 92.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.501 175.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.25 -48.4 86.14 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.392 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -54.84 -49.17 71.74 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 110.517 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.6 tpt -69.08 -41.12 77.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.282 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.83 -46.64 87.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.614 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.9 m -59.7 -46.97 87.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.146 0.498 . . . . 0.0 110.172 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -56.39 -47.65 78.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.885 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.74 -44.56 70.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.459 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.37 -10.13 58.17 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.6 p -109.37 5.87 23.87 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.456 -0.497 . . . . 0.0 111.518 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.9 m -133.43 -45.28 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -175.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -113.18 28.1 9.06 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -168.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.0 m -123.32 150.89 61.55 Favored Pre-proline 0 C--N 1.324 -0.509 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.46 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.659 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . 32.3 Cg_exo -58.73 128.96 30.03 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.515 2.144 . . . . 0.0 111.131 174.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -60.98 -43.52 98.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.007 0.432 . . . . 0.0 111.409 -171.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.408 HG23 ' HG3' ' A' ' 53' ' ' GLN . 14.7 t -90.94 -9.48 45.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.461 -174.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.659 ' HB2' ' HB2' ' A' ' 50' ' ' PRO . 50.0 mt-30 -117.96 19.34 13.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.072 0.463 . . . . 0.0 110.47 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 p -61.18 -45.99 92.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.318 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -64.61 -42.81 95.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.59 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.67 -55.51 29.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.618 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.59 -34.62 78.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.31 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.2 89.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.76 0.314 . . . . 0.0 110.714 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.514 HE21 ' CA ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -68.59 -39.74 80.79 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.154 177.2 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.04 91.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.56 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 21.4 t80 -58.59 -50.91 72.09 Favored 'General case' 0 N--CA 1.461 0.097 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.647 ' O ' HG12 ' A' ' 66' ' ' ILE . 23.8 t -59.82 -54.79 42.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.395 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -52.06 -44.67 64.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.369 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.2 t -63.22 -35.17 79.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.692 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 57.4 mt -75.23 -38.08 60.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.507 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.647 HG12 ' O ' ' A' ' 62' ' ' SER . 21.0 mm -61.02 -43.73 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -61.56 -40.44 94.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.414 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.99 98.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.65 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 65' ' ' LEU . 92.5 t -63.06 -42.28 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.656 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -57.84 -53.92 52.71 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.9 m -73.29 -17.41 61.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.179 0.514 . . . . 0.0 111.25 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.646 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -72.44 -56.18 5.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.116 0.484 . . . . 0.0 109.77 174.33 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.78 -49.78 69.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.491 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.445 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 47.9 t . . . . . 0 N--CA 1.442 -0.84 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -22.97 66.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.162 177.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.94 -50.0 22.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.181 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.46 ' O ' HG13 ' B' ' 15' ' ' ILE . 19.3 mt-30 -60.98 -40.28 92.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.83 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.643 ' O ' HG21 ' B' ' 16' ' ' VAL . 65.1 tp -58.63 -54.46 46.79 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.962 177.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 31.0 m -55.63 -39.87 71.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.024 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.71 95.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.944 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.46 HG13 ' O ' ' B' ' 11' ' ' GLN . 83.5 mt -62.76 -50.29 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.643 HG21 ' O ' ' B' ' 12' ' ' LEU . 1.7 t -63.92 -38.19 81.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.15 0.5 . . . . 0.0 110.119 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.17 -49.79 72.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.053 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.436 ' O ' HG12 ' B' ' 22' ' ' VAL . 28.0 t70 -71.6 -27.97 63.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.374 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.571 ' HG3' ' SD ' ' A' ' 19' ' ' MET . 53.4 ttp -60.05 -41.73 92.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.244 0.545 . . . . 0.0 110.197 175.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 73.7 mt -67.33 -41.4 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.851 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.86 -48.36 82.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.701 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.635 HG11 HG11 ' A' ' 22' ' ' VAL . 23.4 m -66.81 -27.89 41.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 120.679 0.275 . . . . 0.0 110.989 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 57.4 tp -65.42 -51.65 58.79 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.791 173.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.02 -28.67 70.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.821 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' B' ' 22' ' ' VAL . 36.5 ttpt -63.3 -28.92 70.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.888 176.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -101.59 -19.53 15.43 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 64.03 81.39 0.21 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.68 0.613 . . . . 0.0 111.141 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.09 135.78 26.26 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.717 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.434 ' HD2' HD12 ' B' ' 32' ' ' LEU . 42.8 Cg_endo -69.14 166.05 28.15 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.183 1.922 . . . . 0.0 111.117 174.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.63 -33.74 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.508 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.661 ' O ' HG12 ' B' ' 35' ' ' ILE . 5.8 m-20 -59.61 -67.39 0.38 Allowed 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.933 0.397 . . . . 0.0 110.61 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.434 HD12 ' HD2' ' B' ' 29' ' ' PRO . 95.5 mt -58.15 -34.68 70.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.581 -177.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.4 t -62.8 -37.58 87.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.398 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.2 mt -77.27 -34.03 55.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.692 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.661 HG12 ' O ' ' B' ' 31' ' ' ASP . 25.8 mm -64.11 -45.81 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.094 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.429 ' CB ' HG21 ' A' ' 16' ' ' VAL . . . -61.66 -42.94 99.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.542 176.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.551 HD12 ' HG ' ' A' ' 37' ' ' LEU . 42.8 tp -65.37 -39.29 92.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.548 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.31 -47.34 90.35 Favored Glycine 0 C--O 1.236 0.231 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.285 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -61.92 -42.93 99.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.961 0.41 . . . . 0.0 110.194 176.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.438 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 27.4 ttt -62.08 -51.91 66.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.143 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.73 -51.47 65.52 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.462 ' OG ' HD22 ' A' ' 65' ' ' LEU . 17.1 m -63.84 -45.55 89.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.244 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -62.57 -39.56 94.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.453 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 40' ' ' MET . 56.3 mt -67.44 -47.07 71.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.835 0.35 . . . . 0.0 111.117 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.03 -25.58 68.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.305 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 17.0 p -97.07 12.97 30.73 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.581 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 23.7 m -133.68 -50.72 0.85 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.837 0.351 . . . . 0.0 111.842 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.5 m -80.62 -35.42 34.06 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -171.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.539 HG22 ' HB3' ' B' ' 54' ' ' CYS . 4.8 m -117.63 162.12 30.38 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -174.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 10.6 Cg_endo -53.9 127.18 24.54 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 123.552 2.835 . . . . 0.0 113.194 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -54.78 -54.5 41.3 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.568 -174.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 12.7 t -69.84 -10.74 59.56 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -108.72 -35.65 6.36 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.395 -175.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . 0.539 ' HB3' HG22 ' B' ' 49' ' ' VAL . 27.2 p -63.05 -31.28 72.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.702 0.287 . . . . 0.0 110.727 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.46 -44.12 89.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.452 176.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.88 -43.73 74.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.567 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.42 -37.62 86.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.781 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.54 81.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.199 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.525 HE21 HG13 ' A' ' 66' ' ' ILE . 40.9 mm-40 -61.25 -48.68 80.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.072 176.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.64 75.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.697 0.284 . . . . 0.0 111.314 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -64.93 -41.21 95.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.457 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.616 ' O ' HG12 ' B' ' 66' ' ' ILE . 37.8 t -62.44 -49.2 76.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.293 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.415 ' N ' HD21 ' B' ' 63' ' ' ASN . 0.9 OUTLIER -61.43 -34.36 75.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.488 178.755 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 13.8 t -64.23 -40.25 95.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.057 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.78 -38.18 90.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.304 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.616 HG12 ' O ' ' B' ' 62' ' ' SER . 21.9 mm -61.5 -43.58 97.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . 0.421 ' HA ' ' HE3' ' B' ' 70' ' ' LYS . 54.9 t30 -60.97 -38.93 87.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.436 178.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.27 -52.41 64.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.803 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.76 -46.47 96.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.421 ' HE3' ' HA ' ' B' ' 67' ' ' ASN . 25.5 ttpp -54.36 -54.01 46.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.115 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 5.4 m -81.41 -1.15 44.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.553 -174.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -80.03 -38.06 32.74 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 169.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 172.799 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.441 -0.881 0 CA-C-O 121.021 0.438 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -60.92 -18.93 59.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.587 172.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.45 -38.66 29.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.951 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.68 -45.47 68.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.939 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.674 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.2 tp -60.53 -56.51 20.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.758 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.3 m -55.58 -36.38 66.81 Favored 'General case' 0 C--N 1.332 -0.172 0 O-C-N 123.269 0.356 . . . . 0.0 111.276 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.51 98.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 110.78 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -73.33 -44.51 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.234 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.8 t -64.65 -42.74 95.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.986 0.422 . . . . 0.0 110.485 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -70.62 -27.74 64.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.628 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.647 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.3 t0 -66.36 -47.93 71.84 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 177.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.9 mmt -58.55 -33.39 69.85 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.3 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 16' ' ' VAL . 71.8 mt -61.21 -44.53 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.108 0.48 . . . . 0.0 109.844 175.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.89 -33.11 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.197 177.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 18' ' ' ASP . 68.7 t -61.84 -40.26 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.298 175.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.571 HD13 ' HG ' ' A' ' 33' ' ' SER . 59.2 tp -60.03 -41.23 91.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.256 175.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -73.3 -17.53 61.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.94 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -76.08 -13.95 60.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.358 0.599 . . . . 0.0 110.289 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -122.69 -30.32 3.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.927 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.693 ' HB2' ' HZ1' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 61.98 75.0 0.42 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.987 -178.545 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.57 139.22 20.44 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.485 ' HG2' ' OD1' ' A' ' 31' ' ' ASP . 59.0 Cg_endo -74.29 39.2 0.52 Allowed 'Trans proline' 0 CA--C 1.535 0.575 0 C-N-CA 123.232 2.621 . . . . 0.0 114.405 -172.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.6 t 75.12 -52.76 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 123.467 0.707 . . . . 0.0 112.136 175.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.485 ' OD1' ' HG2' ' A' ' 29' ' ' PRO . 19.5 p-10 -64.78 -50.6 66.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.758 0.314 . . . . 0.0 110.268 -177.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.0 tp -64.11 -31.79 73.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.488 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.571 ' HG ' HD13 ' A' ' 23' ' ' LEU . 1.4 m -64.44 -42.34 96.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.382 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.1 mt -72.75 -23.88 60.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.42 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 31' ' ' ASP . 71.1 mt -68.61 -45.33 81.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 0.0 110.354 175.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.442 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -59.39 -47.61 84.79 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.279 0.562 . . . . 0.0 110.544 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.78 -21.29 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.679 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.43 -47.56 34.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.209 -0.52 . . . . 0.0 112.08 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.55 -34.74 76.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.107 0.479 . . . . 0.0 110.063 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.3 ttt -69.46 -48.39 60.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.885 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.91 63.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.6 p -62.2 -40.86 97.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.088 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -58.04 -49.41 76.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.735 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.642 HD12 HG11 ' B' ' 30' ' ' VAL . 68.1 mt -69.02 -42.22 76.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.284 -177.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.428 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 86.0 mt -66.12 -21.09 66.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.526 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.5 p -100.53 -4.53 28.48 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.608 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -117.64 -41.67 2.92 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -176.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 m -89.34 -62.72 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.699 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 32.8 m -74.07 164.11 63.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 C-N-CA 121.305 -0.158 . . . . 0.0 111.012 -176.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.699 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 14.9 Cg_endo -57.57 115.61 2.63 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.675 2.25 . . . . 0.0 112.46 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.685 ' HB3' HD11 ' B' ' 73' ' ' LEU . 25.8 mp0 -58.14 -37.43 74.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.209 -178.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.559 HG21 ' HG2' ' A' ' 53' ' ' GLN . 11.3 t -73.28 -8.12 54.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.666 -177.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.753 ' HA ' HE21 ' A' ' 53' ' ' GLN . 0.0 OUTLIER -124.07 9.67 8.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.348 -179.196 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.554 ' SG ' HG13 ' B' ' 69' ' ' VAL . 25.5 t -63.69 -54.93 27.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.361 -171.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.682 ' HB3' HG22 ' B' ' 66' ' ' ILE . 1.6 mp0 -62.79 -34.97 78.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.004 0.43 . . . . 0.0 110.478 -177.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.96 -51.07 61.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 53' ' ' GLN . 10.8 mp -72.58 -38.45 67.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.464 -177.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.97 95.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.728 0.299 . . . . 0.0 110.403 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -62.73 -43.29 99.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.263 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.74 -48.72 80.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -65.83 -41.82 91.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.813 0.339 . . . . 0.0 110.232 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.588 ' O ' HG12 ' A' ' 66' ' ' ILE . 38.8 t -57.97 -53.26 60.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.392 178.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.447 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . 96.1 m-20 -63.44 -27.97 69.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.385 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 m -63.54 -37.42 87.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.127 0.489 . . . . 0.0 110.112 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 69' ' ' VAL . 85.8 mt -74.93 -34.24 62.07 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.207 175.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 62' ' ' SER . 42.8 mm -59.62 -41.8 86.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.19 0.519 . . . . 0.0 109.741 174.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -65.71 -32.32 73.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.531 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.78 -39.37 84.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.069 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 65' ' ' LEU . 98.0 t -60.1 -43.78 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.998 173.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 66' ' ' ILE . 68.3 mttm -59.73 -32.63 70.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.32 175.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 26.3 m -68.45 -27.46 66.19 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.596 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -74.37 -25.59 59.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.023 0.439 . . . . 0.0 110.499 173.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mp -81.71 -12.58 58.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.946 173.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 171.839 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.467 ' HB2' ' CB ' ' B' ' 11' ' ' GLN . 18.3 m . . . . . 0 N--CA 1.443 -0.796 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -65.74 -16.92 64.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.332 0.587 . . . . 0.0 109.715 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.31 -35.74 23.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.793 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.467 ' CB ' ' HB2' ' B' ' 8' ' ' SER . 64.6 tt0 -72.79 -43.45 62.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.73 177.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.625 ' O ' HG21 ' B' ' 16' ' ' VAL . 64.9 tp -58.42 -54.37 47.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.512 178.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 21.8 p -55.6 -42.74 75.29 Favored 'General case' 0 C--N 1.333 -0.152 0 O-C-N 123.304 0.377 . . . . 0.0 111.005 -177.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.14 -41.18 78.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.951 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.428 HG13 ' O ' ' B' ' 11' ' ' GLN . 74.0 mt -68.43 -46.83 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.134 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.625 HG21 ' O ' ' B' ' 12' ' ' LEU . 1.6 t -63.59 -42.82 97.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 121.131 0.491 . . . . 0.0 109.771 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -69.66 -19.55 63.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.417 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.795 ' O ' HG21 ' B' ' 22' ' ' VAL . 34.4 t70 -74.14 -48.5 28.97 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 26.0 mmt -56.9 -43.25 81.16 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.724 0.64 . . . . 0.0 110.476 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.57 -41.48 90.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.27 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.589 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -63.58 -40.79 97.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.428 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.795 HG21 ' O ' ' B' ' 18' ' ' ASP . 25.2 t -58.19 -42.11 82.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.495 177.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.98 -32.19 71.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.57 -23.29 53.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.704 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 71.7 mmtt -75.02 -52.06 12.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.429 . . . . 0.0 110.386 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -89.5 -22.19 22.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.815 -175.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm 65.49 90.14 0.09 Allowed 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.836 0.71 . . . . 0.0 110.819 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.87 124.24 18.58 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.039 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.39 162.41 42.46 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.372 2.048 . . . . 0.0 111.946 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.642 HG11 HD12 ' A' ' 44' ' ' LEU . 61.8 t -51.14 -34.13 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.392 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.37 -69.01 0.16 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.263 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.22 -34.77 78.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.763 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 46.4 t -64.81 -34.42 78.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.606 0.241 . . . . 0.0 110.657 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 19.0 tp -69.93 -39.32 76.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.087 0.47 . . . . 0.0 109.913 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.4 mt -62.54 -40.84 89.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.418 176.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.483 ' CB ' HG21 ' A' ' 16' ' ' VAL . . . -62.57 -41.78 99.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.714 176.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 51.6 tp -63.12 -40.09 96.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.42 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.71 98.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.321 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -62.23 -44.41 96.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.463 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 49.4 ttm -61.04 -48.3 82.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.777 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.53 -43.82 72.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.711 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 16.8 m -60.78 -49.31 77.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.461 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.29 -43.03 92.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.978 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 40' ' ' MET . 61.0 mt -69.33 -40.3 77.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.303 -177.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.472 ' HA ' HG23 ' B' ' 49' ' ' VAL . 96.4 mt -76.19 -13.48 60.18 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.652 -177.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 22.3 p -105.44 -0.35 26.09 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.567 -0.453 . . . . 0.0 112.062 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 39.2 m -141.71 -37.52 0.41 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -174.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.7 m -92.83 -30.68 15.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.061 -0.399 . . . . 0.0 111.786 -169.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' B' ' 45' ' ' LEU . 35.4 m -106.28 154.65 39.6 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.748 -0.206 . . . . 0.0 110.544 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.59 ' HB2' ' HG2' ' B' ' 53' ' ' GLN . 31.4 Cg_exo -59.44 107.89 0.41 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.498 2.132 . . . . 0.0 111.476 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.509 ' HA ' ' HB2' ' B' ' 54' ' ' CYS . 21.1 pt20 -60.0 -33.47 72.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -172.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -60.4 -30.01 69.33 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.94 0.4 . . . . 0.0 111.413 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.59 ' HG2' ' HB2' ' B' ' 50' ' ' PRO . 19.8 pt20 -122.36 18.92 10.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.057 0.456 . . . . 0.0 110.137 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . 0.509 ' HB2' ' HA ' ' B' ' 51' ' ' GLN . 49.4 t -59.69 -39.45 84.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.872 -177.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.03 -39.94 79.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.783 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.07 92.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.17 -44.94 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.723 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.83 -46.0 83.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.555 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.556 ' NE2' HG13 ' A' ' 66' ' ' ILE . 73.1 mm-40 -64.12 -34.94 79.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.449 0.166 . . . . 0.0 110.856 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.57 -49.45 76.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.927 0.394 . . . . 0.0 110.496 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -64.16 -40.8 96.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.989 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.608 ' O ' HG12 ' B' ' 66' ' ' ILE . 23.0 t -59.47 -58.92 6.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.731 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -58.97 -34.66 72.06 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.874 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -67.02 -32.4 73.59 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.646 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 87.4 mt -75.54 -39.23 58.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.144 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.682 HG22 ' HB3' ' A' ' 55' ' ' GLU . 39.2 mm -55.99 -48.48 78.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 121.01 0.434 . . . . 0.0 110.597 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -65.12 -44.11 89.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.871 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.35 -48.69 80.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.809 0.337 . . . . 0.0 111.267 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.554 HG13 ' SG ' ' A' ' 54' ' ' CYS . 68.9 t -63.24 -46.18 96.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' B' ' 70' ' ' LYS . 23.5 ttmm -61.74 -34.55 76.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.771 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 56.4 m -71.13 -27.74 63.79 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.929 0.395 . . . . 0.0 110.88 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -75.04 -36.05 61.87 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.682 0.277 . . . . 0.0 110.395 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.685 HD11 ' HB3' ' A' ' 51' ' ' GLN . 4.3 mm? . . . . . 0 C--O 1.233 0.228 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 172.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.548 ' HB2' ' HG2' ' A' ' 11' ' ' GLN . 15.8 m . . . . . 0 N--CA 1.444 -0.732 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -61.46 -25.01 66.96 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 175.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.35 -37.7 60.52 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.55 177.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.548 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 15.7 mm100 -67.12 -42.11 85.06 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.554 176.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.682 ' O ' HG23 ' A' ' 16' ' ' VAL . 43.7 tp -57.57 -53.93 52.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.345 176.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -51.03 -47.57 61.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.48 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.61 87.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.321 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.476 ' O ' ' HG2' ' A' ' 19' ' ' MET . 73.8 mt -67.99 -45.37 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.799 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.0 t -65.92 -38.65 82.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.9 0.381 . . . . 0.0 110.018 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.416 HD21 ' HA ' ' A' ' 17' ' ' ASN . 8.6 m120 -62.26 -39.21 92.15 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.538 176.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.724 ' O ' HG21 ' A' ' 22' ' ' VAL . 30.9 t70 -62.81 -50.15 72.12 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.78 ' HA ' ' HE1' ' A' ' 19' ' ' MET . 14.4 mmt -51.75 -46.01 63.91 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.432 0.458 . . . . 0.0 111.118 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 16' ' ' VAL . 76.9 mt -62.35 -44.6 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.42 -40.53 85.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.085 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.724 HG21 ' O ' ' A' ' 18' ' ' ASP . 59.2 t -58.13 -48.39 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.174 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.0 tp -64.39 -44.15 92.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.488 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.67 -50.95 66.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.071 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -82.56 -8.46 59.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.985 -171.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -93.0 -28.9 16.12 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 tttm 54.73 85.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.406 -1.27 . . . . 0.0 111.881 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.47 130.27 22.96 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.411 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.52 160.52 42.6 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.221 1.947 . . . . 0.0 111.223 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 52.1 t -51.4 -30.63 10.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 123.683 0.614 . . . . 0.0 111.826 -175.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.488 ' O ' HG13 ' A' ' 35' ' ' ILE . 20.2 m-20 -68.54 -55.56 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.248 0.546 . . . . 0.0 110.375 -178.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.01 -32.06 68.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.461 -173.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.409 ' O ' HD22 ' A' ' 37' ' ' LEU . 25.4 p -63.93 -41.57 97.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 110.305 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 88.8 mt -66.42 -39.17 88.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.872 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 31' ' ' ASP . 44.1 mt -70.35 -39.05 76.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.803 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.471 ' HA ' HG21 ' B' ' 16' ' ' VAL . . . -61.1 -49.73 76.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.768 0.318 . . . . 0.0 110.309 176.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD22 ' O ' ' A' ' 33' ' ' SER . 4.1 mm? -59.26 -42.57 91.5 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.27 175.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.94 -55.45 27.87 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.834 -0.621 . . . . 0.0 113.049 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -61.57 -42.34 98.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.844 0.355 . . . . 0.0 110.765 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.458 ' HE3' HD22 ' A' ' 44' ' ' LEU . 12.6 tpt -66.26 -44.65 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.439 -177.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.46 86.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.607 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.7 m -60.17 -47.98 83.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.956 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -58.08 -42.86 86.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.809 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.458 HD22 ' HE3' ' A' ' 40' ' ' MET . 76.2 mt -65.23 -50.04 67.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.89 -22.15 65.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.853 0.358 . . . . 0.0 111.256 -177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 p -101.2 13.79 34.0 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.78 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.4 m -136.55 -50.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.8 p -94.98 -39.64 10.08 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -167.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.6 m -80.6 152.35 72.51 Favored Pre-proline 0 C--N 1.325 -0.497 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.15 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.489 ' HG2' ' HB2' ' A' ' 53' ' ' GLN . 6.3 Cg_endo -48.77 127.79 17.33 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.416 2.744 . . . . 0.0 111.79 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -64.58 -30.71 71.74 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -172.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.5 m -75.63 -20.23 58.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.375 0.607 . . . . 0.0 110.523 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.489 ' HB2' ' HG2' ' A' ' 50' ' ' PRO . 10.3 mm100 -112.26 13.32 20.41 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -176.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 44.0 t -55.2 -53.68 52.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.62 -173.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -82.3 -27.16 32.48 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.573 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.19 -46.96 86.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.378 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.469 HD11 ' HB3' ' A' ' 53' ' ' GLN . 10.2 mp -73.75 -29.54 62.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.654 177.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.64 75.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.01 0.434 . . . . 0.0 110.457 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.73 -30.62 68.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 178.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.72 73.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.503 176.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -59.73 -40.96 89.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.084 0.469 . . . . 0.0 110.146 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.61 ' O ' HG12 ' A' ' 66' ' ' ILE . 49.4 m -59.67 -60.44 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.27 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -64.46 -35.19 80.13 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.5 p -66.62 -36.49 82.72 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.646 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.54 -37.49 80.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.717 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.61 HG12 ' O ' ' A' ' 62' ' ' SER . 16.0 mm -58.98 -46.77 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -61.94 -45.43 93.7 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.879 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.91 79.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.328 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.9 t -63.82 -43.13 97.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.975 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.36 -36.67 84.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.069 0.461 . . . . 0.0 110.96 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.3 m -70.32 -32.36 70.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.971 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.434 ' HD2' HG22 ' B' ' 46' ' ' THR . 89.9 mtt180 -80.54 -23.62 39.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.97 0.414 . . . . 0.0 110.604 178.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.7 tp -69.89 -40.57 75.58 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 172.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.092 175.016 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.627 ' HG ' ' HB3' ' B' ' 11' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.438 -1.074 0 CA-C-O 120.915 0.388 . . . . 0.0 110.26 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.25 -19.95 56.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.545 176.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.46 -30.53 33.38 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.67 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.627 ' HB3' ' HG ' ' B' ' 8' ' ' SER . 21.5 tm0? -80.39 -29.8 37.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.41 177.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.69 ' O ' HG23 ' B' ' 16' ' ' VAL . 42.5 tp -63.79 -55.55 22.23 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 174.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 3.0 p -55.66 -38.4 69.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.352 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.69 -30.03 69.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.601 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.613 HG22 ' O ' ' B' ' 12' ' ' LEU . 6.5 tp -82.72 -34.0 11.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.542 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.4 t -74.65 -40.47 47.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -68.22 -25.8 65.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.208 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.707 ' O ' HG22 ' B' ' 22' ' ' VAL . 9.5 t70 -64.72 -52.27 58.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 174.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 65.5 mtt -56.37 -41.22 75.83 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.269 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 16' ' ' VAL . 73.3 mt -56.92 -47.59 82.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.129 0.49 . . . . 0.0 110.157 176.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.492 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -67.35 -36.92 82.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.764 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.707 HG22 ' O ' ' B' ' 18' ' ' ASP . 42.0 t -60.13 -42.51 90.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.204 0.526 . . . . 0.0 110.177 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.16 -46.36 89.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.632 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -65.01 -26.78 68.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.24 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 64.7 mttp -73.91 -14.69 61.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.959 0.409 . . . . 0.0 110.819 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -106.95 -30.5 8.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.408 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 15.7 ttpp 57.5 37.67 27.79 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 110.217 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -73.28 143.67 83.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.814 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 11.4 Cg_exo -68.89 154.33 71.15 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.599 2.199 . . . . 0.0 110.86 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.6 p -61.99 -29.0 45.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.683 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.601 ' O ' HG13 ' B' ' 35' ' ' ILE . 17.4 m-20 -60.4 -63.45 1.29 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.314 0.578 . . . . 0.0 109.735 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 19.3 tp -63.81 -36.42 83.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.673 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.0 t -59.37 -48.94 79.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.013 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 58.6 mt -71.11 -18.54 62.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.58 -177.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.601 HG13 ' O ' ' B' ' 31' ' ' ASP . 62.7 mt -75.69 -45.78 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.424 ' CB ' HG21 ' A' ' 16' ' ' VAL . . . -62.17 -52.92 61.87 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.619 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.85 -27.48 67.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.785 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.88 -48.39 61.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.012 176.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -64.46 -33.14 75.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.749 0.309 . . . . 0.0 110.861 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -71.69 -46.48 58.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.44 -52.3 65.16 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.2 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.2 p -61.73 -45.12 95.32 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.69 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -53.76 -54.28 40.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.764 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.72 -40.63 97.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.556 -177.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.409 ' HB3' ' SG ' ' B' ' 54' ' ' CYS . 88.4 mt -69.61 -16.65 63.43 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.714 -177.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.434 HG22 ' HD2' ' A' ' 72' ' ' ARG . 6.9 p -112.87 12.55 19.48 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.718 176.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 25.6 m -130.48 -43.72 1.13 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.392 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.5 m -86.07 -44.08 12.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.546 0.213 . . . . 0.0 111.39 -173.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -99.38 158.76 31.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.971 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.69 119.1 6.05 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.667 2.244 . . . . 0.0 111.461 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -55.35 -38.88 69.34 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 38.6 m -62.79 -39.45 94.28 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 111.228 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -93.03 -6.12 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.341 0.591 . . . . 0.0 110.417 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' B' ' 45' ' ' LEU . 36.3 t -63.1 -30.35 71.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.52 -175.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -59.64 -49.31 78.23 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.54 ' HA ' HE21 ' B' ' 59' ' ' GLN . . . -65.27 -38.38 90.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.505 178.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -51.34 70.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.582 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.5 -35.51 80.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.375 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.54 HE21 ' HA ' ' B' ' 56' ' ' ALA . 20.8 mt-30 -63.92 -40.43 96.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.826 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.28 -41.91 80.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.93 0.395 . . . . 0.0 110.355 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -59.13 -52.81 64.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.761 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.642 ' O ' HG12 ' B' ' 66' ' ' ILE . 7.9 p -60.36 -52.2 66.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.93 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -55.52 -43.94 76.18 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 24.2 m -66.85 -33.66 76.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.985 0.421 . . . . 0.0 110.054 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 30.0 tp -64.76 -47.53 77.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.339 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.642 HG12 ' O ' ' B' ' 62' ' ' SER . 9.8 mm -60.52 -42.94 93.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 121.437 0.637 . . . . 0.0 109.722 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -63.81 -40.6 97.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.091 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.72 99.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.843 0.354 . . . . 0.0 110.799 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.68 -49.71 83.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.202 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -56.71 -34.79 67.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.53 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 54.3 m -70.0 -37.37 75.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.116 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -77.34 -29.94 53.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.956 0.408 . . . . 0.0 110.306 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.601 175.434 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.436 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 45.1 t . . . . . 0 N--CA 1.444 -0.732 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -63.8 -21.51 66.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.495 0.664 . . . . 0.0 109.272 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.65 -40.79 40.6 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.01 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.539 ' O ' HG13 ' A' ' 15' ' ' ILE . 77.8 mt-30 -72.53 -27.46 62.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.15 176.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 tp -56.26 -59.01 5.56 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.723 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 m -55.54 -39.44 70.58 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 123.411 0.444 . . . . 0.0 110.914 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.13 -37.82 78.16 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.214 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 11' ' ' GLN . 92.4 mt -68.21 -51.23 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.808 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -39.1 84.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.198 -177.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -62.8 -47.28 84.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.386 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.598 ' O ' HG23 ' A' ' 22' ' ' VAL . 28.6 t70 -59.64 -51.24 70.66 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.391 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.8 ttm -53.9 -42.97 69.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 86.4 mt -70.98 -47.07 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.129 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.12 82.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 111.105 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 18' ' ' ASP . 59.1 t -61.93 -40.13 86.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.375 0.607 . . . . 0.0 110.426 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.01 -45.08 95.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.626 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.45 -35.07 77.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.446 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -66.25 -40.61 90.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.761 0.315 . . . . 0.0 110.843 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -72.78 -24.66 60.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 174.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.418 ' HE2' ' HB2' ' A' ' 27' ' ' LYS . 17.5 ttmm 70.35 83.08 0.15 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.534 175.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -120.27 122.99 28.48 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.569 173.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.622 ' HD2' ' HB3' ' A' ' 32' ' ' LEU . 12.7 Cg_exo -66.78 164.35 29.74 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.538 2.159 . . . . 0.0 111.646 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.51 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 72.4 t -55.49 -40.43 58.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 111.124 -178.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.461 ' O ' HG13 ' A' ' 35' ' ' ILE . 1.6 p-10 -63.17 -55.09 28.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.347 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.622 ' HB3' ' HD2' ' A' ' 29' ' ' PRO . 61.9 tp -61.09 -42.7 99.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.003 0.43 . . . . 0.0 111.078 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.8 t -63.73 -35.34 80.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 1.3 tt -65.1 -36.56 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.975 0.417 . . . . 0.0 110.045 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 31' ' ' ASP . 51.6 mt -64.77 -46.27 92.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.55 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.402 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -64.14 -50.15 69.35 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.79 178.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.404 HD11 HD12 ' B' ' 37' ' ' LEU . 32.7 tp -63.23 -39.49 94.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.719 -178.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.52 -46.63 93.38 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.866 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -61.74 -46.22 90.55 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.6 ttt -59.51 -40.67 87.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.757 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.66 84.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.194 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.7 p -67.13 -38.54 85.74 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.842 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -61.05 -43.22 99.21 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.039 0.447 . . . . 0.0 110.346 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.3 tp -56.61 -52.65 64.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.198 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.04 -32.08 73.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.339 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.0 p -93.28 15.74 14.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.576 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.9 m -140.93 -46.99 0.4 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.483 ' HB3' HG11 ' B' ' 30' ' ' VAL . 34.1 m -88.85 -54.54 4.09 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -171.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 m -79.31 150.28 73.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.437 -174.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.21 131.87 41.42 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.17 2.58 . . . . 0.0 112.258 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -70.17 -26.06 63.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.73 -171.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.8 m -68.62 -24.29 64.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.247 0.546 . . . . 0.0 111.558 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.42 HE21 HD13 ' A' ' 57' ' ' LEU . 15.5 pt20 -130.09 26.76 5.17 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -175.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.68 -53.49 56.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.27 -175.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.33 -25.34 39.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.978 0.418 . . . . 0.0 110.118 -178.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.68 97.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.161 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.42 HD13 HE21 ' A' ' 53' ' ' GLN . 7.4 mp -74.01 -33.46 63.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.131 177.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.08 94.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.198 0.523 . . . . 0.0 110.33 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.93 -35.15 76.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.006 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.52 81.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.625 176.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -57.79 -48.92 78.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.67 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.661 ' O ' HG12 ' A' ' 66' ' ' ILE . 3.0 p -63.33 -45.67 90.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.471 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -63.14 -40.84 98.74 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.07 0.462 . . . . 0.0 111.123 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 t -64.82 -35.53 81.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.279 0.561 . . . . 0.0 109.544 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.2 -38.66 91.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.372 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.661 HG12 ' O ' ' A' ' 62' ' ' SER . 40.2 mm -56.35 -43.82 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 121.291 0.567 . . . . 0.0 109.936 176.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -66.67 -38.46 86.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.074 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.22 -46.07 85.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.45 -39.35 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.642 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 35.1 ttmt -56.76 -41.29 77.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.4 m -70.74 -33.5 70.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.708 0.289 . . . . 0.0 111.206 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -68.0 -38.22 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.191 0.519 . . . . 0.0 110.456 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.9 tp -77.89 -46.96 19.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.808 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 121.085 0.469 . . . . 0.0 110.941 -177.736 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.701 0.286 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -65.47 -24.23 67.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 174.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -36.95 73.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.059 172.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -69.52 -48.12 61.52 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.979 0.418 . . . . 0.0 110.095 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.6 ' O ' HG21 ' B' ' 16' ' ' VAL . 59.8 tp -57.46 -52.47 65.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.469 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 30.8 p -58.54 -38.98 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.453 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.63 84.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.768 0.318 . . . . 0.0 110.994 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.57 -46.67 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.6 HG21 ' O ' ' B' ' 12' ' ' LEU . 0.7 OUTLIER -67.33 -36.16 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.157 0.503 . . . . 0.0 109.915 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -63.57 -32.65 74.18 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.707 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.75 ' O ' HG23 ' B' ' 22' ' ' VAL . 27.0 t0 -70.08 -40.54 74.93 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.21 -40.38 89.93 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.721 176.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.68 -42.14 93.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.262 0.554 . . . . 0.0 110.021 175.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.25 -29.35 68.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.625 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 18' ' ' ASP . 60.0 t -65.66 -42.67 93.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.298 0.57 . . . . 0.0 109.629 176.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.26 -43.16 99.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.66 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -73.95 -23.93 59.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -57.97 -52.48 65.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.762 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -93.66 -18.56 22.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.506 -177.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 mttm 61.76 90.03 0.07 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.726 0.641 . . . . 0.0 110.97 -173.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.09 122.99 26.81 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.388 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.12 163.4 16.93 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.56 2.173 . . . . 0.0 111.321 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.555 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 26.0 m -61.68 -17.5 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.668 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.501 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.0 m-20 -76.44 -58.87 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.998 0.427 . . . . 0.0 110.117 175.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.46 -40.6 97.57 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.536 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -64.98 -35.1 80.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.566 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.555 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 20.3 tp -67.12 -35.72 80.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.286 -178.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 31' ' ' ASP . 32.7 mt -65.05 -44.2 95.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.418 178.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.54 86.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.52 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.404 HD12 HD11 ' A' ' 37' ' ' LEU . 54.3 tp -60.84 -45.72 93.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.522 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.31 -44.4 98.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.005 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -59.31 -48.35 81.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.402 . . . . 0.0 110.074 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.424 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 27.9 ttt -64.68 -46.65 81.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.033 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.57 -46.55 83.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.664 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.7 m -58.3 -49.36 77.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.594 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -43.64 95.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.714 -177.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 40' ' ' MET . 68.9 mt -65.08 -47.41 77.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.853 0.359 . . . . 0.0 111.322 -178.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.67 -13.69 61.03 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.628 -175.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 31.3 p -101.56 4.0 40.59 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.249 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.4 p -128.55 -47.69 1.29 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.678 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.7 m -76.1 -45.17 35.21 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -173.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.494 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 35.0 m -99.41 156.63 35.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.561 -178.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 18.9 Cg_endo -60.9 130.33 32.46 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.737 2.291 . . . . 0.0 112.74 -177.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -12.02 58.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.194 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 11.0 t -85.17 -12.71 52.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.115 0.483 . . . . 0.0 110.573 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.486 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 8.4 tp-100 -126.52 4.33 6.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.405 0.621 . . . . 0.0 109.726 -177.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 42.4 t -60.17 -56.51 20.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.945 -172.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.495 ' HB3' HG21 ' A' ' 66' ' ' ILE . 1.9 mp0 -59.59 -42.26 92.15 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.789 0.328 . . . . 0.0 110.555 -176.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.09 -35.23 69.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.646 -175.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 6.6 tp -73.79 -45.88 48.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.448 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.33 98.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.614 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.53 -42.32 82.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.842 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.28 -46.08 91.08 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.313 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -61.29 -45.13 95.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 110.28 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.482 ' O ' HG12 ' B' ' 66' ' ' ILE . 20.1 m -64.65 -39.39 93.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.895 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.572 ' HA ' HG12 ' B' ' 66' ' ' ILE . 0.9 OUTLIER -67.03 -29.13 68.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.684 178.161 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.5 m -66.64 -36.07 81.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.962 0.41 . . . . 0.0 109.895 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.419 ' O ' HG21 ' B' ' 69' ' ' VAL . 9.6 mp -73.15 -27.5 61.7 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 175.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.572 HG12 ' HA ' ' B' ' 63' ' ' ASN . 52.1 mm -57.79 -46.24 87.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -61.27 -45.98 92.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.107 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.94 87.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.589 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.419 HG21 ' O ' ' B' ' 65' ' ' LEU . 54.6 t -56.41 -51.31 65.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 0.0 111.072 177.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -67.92 -27.0 66.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.022 0.439 . . . . 0.0 110.879 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 97.1 m -66.47 -32.76 74.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.023 0.44 . . . . 0.0 110.39 174.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -79.63 -36.54 37.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.061 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.557 -177.036 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.442 -0.856 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -60.1 -17.81 42.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.148 0.499 . . . . 0.0 109.697 172.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.77 -48.18 17.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.688 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.42 -40.05 74.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.395 0.616 . . . . 0.0 109.744 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.612 HD11 ' HB ' ' B' ' 35' ' ' ILE . 26.8 tp -53.69 -59.54 4.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.693 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.443 ' O ' HG11 ' A' ' 16' ' ' VAL . 2.9 m -75.75 -23.38 55.98 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.299 -171.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -37.37 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.453 HD12 ' HB1' ' B' ' 28' ' ' ALA . 53.6 mt -66.65 -47.01 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.207 176.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.703 ' HB ' ' HB1' ' B' ' 36' ' ' ALA . 9.3 p -72.53 -29.38 30.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.758 -178.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -70.27 -30.63 67.71 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.144 -0.347 . . . . 0.0 110.11 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.719 ' O ' HG22 ' A' ' 22' ' ' VAL . 19.5 t70 -69.16 -43.75 73.63 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.5 ttm -55.23 -38.03 67.95 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.777 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 16' ' ' VAL . 73.1 mt -64.63 -41.13 91.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.144 175.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . -64.95 -39.95 94.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.244 177.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 18' ' ' ASP . 24.4 t -56.23 -41.3 69.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.273 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.45 -49.11 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.853 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -61.72 -41.9 98.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.524 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 67.6 mttm -63.66 -36.52 84.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.418 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -90.61 -14.34 32.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.103 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 60.23 56.85 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.729 0.643 . . . . 0.0 110.612 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.59 127.29 55.11 Favored Pre-proline 0 N--CA 1.451 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.069 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.5 160.95 47.77 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.311 2.007 . . . . 0.0 111.259 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -57.86 -30.82 39.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.875 0.369 . . . . 0.0 110.221 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.557 ' O ' HG13 ' A' ' 35' ' ' ILE . 1.4 m-20 -57.89 -65.62 0.61 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.553 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.6 -34.34 72.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.324 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 t -65.6 -33.14 75.21 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.471 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tt -75.44 -36.66 60.7 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 31' ' ' ASP . 53.2 mt -68.31 -40.09 81.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.65 0.262 . . . . 0.0 110.474 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.63 93.03 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 174.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.13 -47.28 85.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.435 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.99 -48.93 83.46 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.509 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -62.14 -42.96 99.76 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.653 0.263 . . . . 0.0 110.749 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.6 tpt -67.54 -52.15 42.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -176.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.51 -46.48 70.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 111.17 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.6 t -62.99 -56.76 14.24 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.618 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -58.91 -46.0 88.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.67 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.53 -52.76 64.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.306 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.7 mt -72.43 -10.23 59.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.212 -175.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.479 HG21 ' HB2' ' B' ' 72' ' ' ARG . 32.0 p -109.42 3.74 21.73 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 176.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.4 p -130.51 -34.29 1.59 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.4 m -102.91 27.37 7.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.083 0.468 . . . . 0.0 111.513 -175.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.18 157.44 43.64 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.374 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.66 -69.05 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.993 2.462 . . . . 0.0 112.628 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -175.08 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.517 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.6 m -63.95 -27.49 69.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.277 0.56 . . . . 0.0 111.068 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.803 ' HB3' HD12 ' A' ' 57' ' ' LEU . 85.9 mt-30 -75.19 -5.74 46.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.384 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.4 t -55.04 -56.17 22.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.106 0.479 . . . . 0.0 110.801 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -77.91 -37.06 48.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.386 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.84 -50.14 75.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.119 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.803 HD12 ' HB3' ' A' ' 53' ' ' GLN . 9.1 mp -68.09 -35.83 78.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.47 77.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.744 0.307 . . . . 0.0 110.759 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.467 ' HG2' HD11 ' B' ' 66' ' ' ILE . 94.0 mt-30 -65.51 -44.25 87.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.53 87.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.786 0.327 . . . . 0.0 111.167 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.493 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 91.3 t80 -60.96 -48.32 82.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.115 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.578 ' HB2' ' CB ' ' B' ' 62' ' ' SER . 13.6 p -65.89 -43.2 88.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.529 -176.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.422 ' HA ' HG12 ' A' ' 66' ' ' ILE . 26.8 m-80 -67.21 -32.25 73.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.716 0.293 . . . . 0.0 111.104 177.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.5 t -63.67 -37.54 87.74 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 90.7 mt -61.82 -44.19 97.34 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.088 175.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 62' ' ' SER . 18.8 mm -55.8 -47.43 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.228 0.537 . . . . 0.0 109.984 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.408 HD21 ' HA ' ' A' ' 67' ' ' ASN . 10.9 m120 -62.47 -43.35 99.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.128 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.45 -46.56 89.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.86 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.431 ' HA ' ' CG2' ' B' ' 46' ' ' THR . 85.6 t -61.26 -48.16 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.627 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -62.68 -37.41 86.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.988 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.7 m -63.2 -46.16 88.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.625 0.25 . . . . 0.0 111.246 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -70.28 -37.88 74.93 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.889 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.9 -36.7 84.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.992 0.425 . . . . 0.0 110.675 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.138 179.74 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 38.2 t . . . . . 0 N--CA 1.446 -0.673 0 CA-C-O 120.857 0.361 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.73 -26.52 65.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.228 171.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.46 -33.08 48.64 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.281 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -73.46 -39.27 65.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.265 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.645 ' O ' HG23 ' B' ' 16' ' ' VAL . 50.8 tp -61.84 -53.6 53.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.262 175.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 53.3 m -53.75 -36.11 61.97 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.364 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.87 81.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.716 0.293 . . . . 0.0 110.691 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 61.4 mt -64.62 -39.52 85.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.382 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.1 t -69.03 -34.81 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -66.76 -41.56 87.56 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.195 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.52 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.5 OUTLIER -54.63 -47.56 73.32 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.469 175.099 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.434 ' O ' ' HB2' ' B' ' 23' ' ' LEU . 52.0 ttm -54.92 -44.46 74.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.796 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.38 -44.17 77.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.067 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -64.26 -53.28 51.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.25 -178.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.551 HG12 HG21 ' A' ' 22' ' ' VAL . 43.3 t -63.13 -28.47 45.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-O 120.929 0.395 . . . . 0.0 110.32 -177.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.582 HD22 ' HG ' ' B' ' 33' ' ' SER . 18.8 tp -60.13 -47.26 86.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.121 174.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -73.99 -26.55 60.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.066 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 32.4 mmmt -66.84 -14.91 63.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 110.932 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -116.31 -9.47 11.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.026 0.441 . . . . 0.0 109.934 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.484 ' HA ' ' HD2' ' B' ' 27' ' ' LYS . 37.1 tptt 55.37 73.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.365 -177.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.453 ' HB1' HD12 ' A' ' 15' ' ' ILE . . . -97.55 123.99 50.19 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.257 177.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.82 160.08 49.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.842 2.362 . . . . 0.0 111.542 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.14 -39.57 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 123.182 0.301 . . . . 0.0 111.808 -176.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.496 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.8 p-10 -67.23 -52.4 41.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.408 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.17 -36.64 74.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.673 0.273 . . . . 0.0 111.142 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.582 ' HG ' HD22 ' B' ' 23' ' ' LEU . 35.8 t -61.28 -40.37 93.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.093 0.473 . . . . 0.0 109.99 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 tt -64.26 -40.17 95.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.313 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.612 ' HB ' HD11 ' A' ' 12' ' ' LEU . 39.0 mt -72.53 -45.3 59.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.96 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.703 ' HB1' ' HB ' ' A' ' 16' ' ' VAL . . . -52.73 -49.68 64.93 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.685 0.279 . . . . 0.0 110.589 171.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 23.5 tp -59.79 -37.51 79.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.196 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.41 -49.92 62.57 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.387 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -59.02 -40.67 85.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.673 0.273 . . . . 0.0 110.316 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.91 -56.89 15.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.259 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.27 -47.07 79.31 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.46 -178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 26.4 m -57.14 -55.77 30.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.761 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -66.87 -28.6 68.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.073 -175.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.92 -54.1 39.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 0.0 110.805 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.53 -16.9 61.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.199 0.523 . . . . 0.0 112.035 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.431 ' CG2' ' HA ' ' A' ' 69' ' ' VAL . 22.5 p -99.03 -1.82 38.76 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m -131.64 -40.86 1.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.266 -0.574 . . . . 0.0 112.442 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -85.02 -39.66 17.77 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -172.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 28.6 m -95.28 155.07 39.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.737 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -57.19 126.85 23.42 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.073 2.515 . . . . 0.0 112.492 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.582 ' HA ' ' SG ' ' B' ' 54' ' ' CYS . 32.9 mm-40 -76.0 -4.36 40.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.27 0.557 . . . . 0.0 111.218 -176.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' THR . . . . . 0.503 HG22 ' HG3' ' B' ' 53' ' ' GLN . 9.9 t -77.95 -16.44 58.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.237 175.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.503 ' HG3' HG22 ' B' ' 52' ' ' THR . 79.1 mt-30 -135.86 6.7 3.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.343 -177.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . 0.582 ' SG ' ' HA ' ' B' ' 51' ' ' GLN . 19.8 p -64.19 -43.58 94.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.349 -175.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -65.99 -34.74 78.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.211 0.529 . . . . 0.0 110.127 -177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.81 -48.74 52.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.69 -37.08 86.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.238 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.89 85.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.933 0.396 . . . . 0.0 110.327 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -66.14 -39.0 89.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.179 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.44 -48.35 64.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.559 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.401 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 37.4 t80 -56.89 -46.42 81.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.861 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.578 ' CB ' ' HB2' ' A' ' 62' ' ' SER . 11.8 p -62.26 -55.34 29.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.426 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -60.14 -35.46 75.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.522 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 19.5 t -64.16 -41.17 97.26 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.481 ' O ' HG21 ' B' ' 69' ' ' VAL . 61.7 mt -67.03 -32.75 74.18 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.563 HG12 ' O ' ' B' ' 62' ' ' SER . 44.0 mm -59.78 -49.02 85.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.049 0.452 . . . . 0.0 110.054 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -67.57 -33.45 75.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.365 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.67 90.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.745 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.481 HG21 ' O ' ' B' ' 65' ' ' LEU . 55.3 t -58.16 -48.27 85.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 111.014 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -57.58 -41.16 80.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.698 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 25.8 m -72.35 -39.71 67.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.998 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.479 ' HB2' HG21 ' A' ' 46' ' ' THR . 26.8 mmt180 -57.99 -53.63 56.02 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.802 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.655 -177.174 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 N--CA 1.443 -0.789 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.29 -32.16 62.18 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.48 -35.98 65.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.863 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -71.24 -43.75 66.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.964 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.631 ' O ' HG21 ' A' ' 16' ' ' VAL . 61.8 tp -61.92 -56.24 21.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.801 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.5 p -57.27 -36.27 70.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.469 -175.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.51 89.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.806 0.336 . . . . 0.0 110.762 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.46 -44.16 96.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.233 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.631 HG21 ' O ' ' A' ' 12' ' ' LEU . 1.9 t -69.02 -37.35 77.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.312 . . . . 0.0 110.381 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -70.17 -29.58 66.5 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.994 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.607 ' O ' HG21 ' A' ' 22' ' ' VAL . 4.2 m-20 -62.09 -47.13 86.0 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 173.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.5 mmt -53.92 -43.11 69.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 110.948 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.59 -47.68 82.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.847 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . -63.7 -53.52 50.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.294 -177.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' ' 18' ' ' ASP . 61.8 t -56.59 -36.32 47.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.631 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.2 tp -57.92 -50.3 73.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.826 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.36 -42.17 72.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.167 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 29.1 mtpp -62.77 -37.7 87.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.393 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -80.82 -9.48 59.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.217 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm 60.46 55.58 3.42 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.429 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -96.61 132.74 25.7 Favored Pre-proline 0 N--CA 1.45 -0.456 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 175.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.564 ' HD2' ' HB3' ' A' ' 32' ' ' LEU . 17.9 Cg_exo -66.85 154.21 75.34 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.496 2.131 . . . . 0.0 110.789 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.559 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 49.1 t -56.49 -38.39 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.048 0.451 . . . . 0.0 111.304 -175.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' O ' HG13 ' A' ' 35' ' ' ILE . 10.2 p-10 -76.8 -40.41 48.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.902 -175.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB3' ' HD2' ' A' ' 29' ' ' PRO . 38.1 tp -70.9 -32.93 70.04 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.8 t -63.75 -41.1 98.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.425 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 91.4 mt -61.35 -37.25 82.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.464 177.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 31' ' ' ASP . 62.4 mt -64.6 -44.29 96.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.745 176.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.01 -51.09 70.69 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.866 0.365 . . . . 0.0 110.21 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.7 tp -57.57 -42.29 82.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.44 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.86 -50.79 63.85 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.328 -0.463 . . . . 0.0 112.597 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -65.07 -36.84 85.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.482 0.182 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.8 ttt -68.47 -47.15 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.687 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.25 95.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.846 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.9 m -57.38 -45.58 84.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.92 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -58.2 -49.2 77.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.796 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.3 mt -70.24 -36.87 74.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.141 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 tp -74.02 -13.19 60.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.449 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.2 p -109.59 9.13 25.21 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.263 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.8 m -140.27 -45.51 0.42 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -174.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.7 m -99.52 -9.73 22.95 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -166.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.669 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 24.6 m -97.56 167.75 11.28 Favored Pre-proline 0 C--N 1.323 -0.582 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.574 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.669 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 12.4 Cg_endo -56.01 108.95 0.37 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.557 2.172 . . . . 0.0 111.209 174.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.441 ' HG3' HD21 ' B' ' 73' ' ' LEU . 3.8 tp-100 -68.0 -32.84 73.51 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.088 -169.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -81.35 -12.47 59.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.174 0.511 . . . . 0.0 111.168 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -122.87 17.88 10.17 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.568 ' HB2' HG12 ' B' ' 69' ' ' VAL . 5.5 p -53.96 -52.32 61.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.336 -173.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.68 -40.67 84.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.431 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.47 -44.99 77.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.967 0.413 . . . . 0.0 111.009 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.86 -34.25 71.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.242 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.49 81.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.641 0.258 . . . . 0.0 110.67 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -66.79 -35.81 80.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.019 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.99 85.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.003 0.43 . . . . 0.0 110.459 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.03 -45.17 93.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.949 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.695 ' O ' HG12 ' A' ' 66' ' ' ILE . 41.2 t -56.07 -59.51 4.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.539 177.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.05 -38.46 57.1 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.249 0.343 . . . . 0.0 111.717 -178.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 m -60.72 -45.84 92.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.738 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.508 HD13 HD13 ' B' ' 45' ' ' LEU . 4.3 mm? -72.92 -31.32 64.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.993 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.695 HG12 ' O ' ' A' ' 62' ' ' SER . 38.0 mm -63.69 -33.0 59.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -76.97 -25.91 53.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.08 -48.55 70.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 172.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.9 t -62.19 -39.6 84.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.863 174.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 2.8 tppp? -53.62 -43.42 68.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.57 175.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.5 m -70.44 -26.5 63.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.202 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -35.93 65.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.5 mt -72.68 -24.92 61.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.599 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.99 176.55 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.441 -0.884 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -68.26 -13.37 62.21 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.45 -36.19 15.57 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.775 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.432 ' O ' HG13 ' B' ' 15' ' ' ILE . 7.2 tp60 -70.73 -40.9 72.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.605 ' O ' HG21 ' B' ' 16' ' ' VAL . 54.6 tp -58.78 -59.08 6.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.621 178.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 45.7 p -54.13 -45.82 72.03 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 123.34 0.4 . . . . 0.0 111.553 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.95 71.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.49 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.432 HG13 ' O ' ' B' ' 11' ' ' GLN . 81.1 mt -74.51 -49.4 31.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.835 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.605 HG21 ' O ' ' B' ' 12' ' ' LEU . 0.8 OUTLIER -66.67 -35.06 73.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.19 0.519 . . . . 0.0 109.84 -178.616 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.84 -43.17 99.5 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.945 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.764 ' O ' HG23 ' B' ' 22' ' ' VAL . 34.2 t70 -67.91 -43.16 79.89 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -177.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 61.4 mtt -54.27 -42.69 70.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.595 0.236 . . . . 0.0 111.377 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.83 -43.03 89.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.649 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' B' ' 25' ' ' LYS . . . -62.54 -38.11 88.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 178.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.764 HG23 ' O ' ' B' ' 18' ' ' ASP . 44.7 t -67.66 -41.61 85.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.112 0.482 . . . . 0.0 109.962 177.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.3 tp -57.93 -56.52 20.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.731 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.434 ' HG3' ' HD2' ' B' ' 27' ' ' LYS . 35.8 tt0 -75.51 -8.47 56.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.979 0.419 . . . . 0.0 110.905 -177.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' B' ' 21' ' ' ALA . 33.7 ttmt -67.78 -29.15 68.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -99.73 -18.35 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.238 172.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.434 ' HD2' ' HG3' ' B' ' 24' ' ' GLU . 39.8 tptt 61.29 89.46 0.08 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.584 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.26 135.82 19.9 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.201 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.564 ' HD2' ' HB3' ' B' ' 32' ' ' LEU . 27.3 Cg_exo -62.06 158.94 36.51 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.584 2.189 . . . . 0.0 111.311 175.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.44 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 33.4 m -56.14 -29.45 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.343 . . . . 0.0 111.757 -178.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.412 ' O ' HG13 ' B' ' 35' ' ' ILE . 15.9 t70 -76.99 -52.51 9.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.731 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.564 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 35.7 tp -62.37 -40.23 95.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.014 0.435 . . . . 0.0 110.438 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -65.4 -32.31 73.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.518 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 13.7 tp -67.39 -34.04 76.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.003 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 31' ' ' ASP . 38.5 mt -69.24 -44.18 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.297 177.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.42 98.84 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.31 175.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.43 -45.01 96.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.132 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.92 -51.77 56.52 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.241 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -60.47 -38.05 82.97 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.759 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.44 ' HE3' HD23 ' B' ' 44' ' ' LEU . 13.7 tpt -66.97 -48.1 69.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.2 87.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.748 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 27.1 t -59.37 -44.34 92.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.221 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -58.54 -51.79 68.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.587 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.44 HD23 ' HE3' ' B' ' 40' ' ' MET . 4.6 mm? -58.51 -46.18 87.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.561 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.508 HD13 HD13 ' A' ' 65' ' ' LEU . 91.8 mt -77.31 -12.19 59.92 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -173.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 20.4 p -100.96 -14.66 17.79 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.303 -0.559 . . . . 0.0 112.083 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 75.5 p -127.32 -37.26 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -174.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 11.9 m -112.15 25.49 11.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -164.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.451 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 35.4 m -127.28 161.63 53.21 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 177.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 12.6 Cg_endo -57.62 111.36 0.81 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.327 2.018 . . . . 0.0 110.737 173.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -60.78 -24.62 65.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -170.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 20.9 p -90.53 -46.75 8.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.085 0.469 . . . . 0.0 111.634 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -91.8 16.12 11.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.968 -176.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 6.6 p -55.95 -43.48 77.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.066 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.45 -39.86 92.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.995 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.04 -55.74 20.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.894 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.15 -40.67 94.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.622 -176.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.95 -49.33 78.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 111.096 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -79.36 -26.26 42.1 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.094 -177.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.6 90.11 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 174.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.431 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 65.4 t80 -62.62 -42.39 99.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.188 176.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.572 ' O ' HG12 ' B' ' 66' ' ' ILE . 49.1 m -59.08 -57.1 14.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -60.13 -33.05 71.62 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.783 -0.189 . . . . 0.0 111.306 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 70.1 m -62.29 -41.52 98.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.463 ' O ' HG21 ' B' ' 69' ' ' VAL . 95.5 mt -63.31 -46.44 86.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.393 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.572 HG12 ' O ' ' B' ' 62' ' ' SER . 14.3 mm -57.64 -49.29 81.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 121.058 0.456 . . . . 0.0 110.166 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -63.71 -41.38 98.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.902 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.69 68.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.984 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.568 HG12 ' HB2' ' A' ' 54' ' ' CYS . 60.1 t -62.86 -46.74 95.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.714 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.89 -37.6 74.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.259 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 50.8 m -76.47 -39.27 53.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.765 0.317 . . . . 0.0 111.229 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -65.64 -45.82 81.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.662 0.267 . . . . 0.0 111.137 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.441 HD21 ' HG3' ' A' ' 51' ' ' GLN . 10.8 mp . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.793 0.33 . . . . 0.0 110.299 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.725 ' HB2' ' HG3' ' A' ' 11' ' ' GLN . 18.1 m . . . . . 0 N--CA 1.447 -0.604 0 CA-C-O 120.592 0.234 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.12 -34.6 68.52 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 170.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.97 94.89 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.38 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.725 ' HG3' ' HB2' ' A' ' 8' ' ' SER . 45.9 mt-30 -68.57 -46.67 68.81 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.077 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.676 ' O ' HG22 ' A' ' 16' ' ' VAL . 63.3 tp -61.03 -59.25 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.861 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -56.31 -39.35 72.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.552 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.43 96.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.754 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.0 mt -69.16 -49.27 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.203 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 12' ' ' LEU . 2.0 t -63.98 -45.61 96.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.95 0.405 . . . . 0.0 110.647 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -66.41 -34.91 79.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.663 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -71.71 -37.87 70.58 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.405 ' HA ' HG23 ' A' ' 22' ' ' VAL . 53.0 tpp -62.36 -45.77 91.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.66 177.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.5 mt -62.61 -38.95 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.114 0.483 . . . . 0.0 110.29 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.84 -52.63 55.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.103 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.405 HG23 ' HA ' ' A' ' 19' ' ' MET . 33.2 m -67.47 -24.64 31.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.649 0.261 . . . . 0.0 110.96 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.18 -38.27 89.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 110.093 175.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.561 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 1.8 tm-20 -66.18 -43.25 87.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.972 178.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 3.7 mptp? -75.19 -21.65 58.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.063 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.37 -34.24 55.09 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 171.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 48.2 mttp 56.95 75.34 0.37 Allowed 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.959 -175.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.47 106.03 43.03 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.16 173.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.97 165.41 16.6 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.522 2.148 . . . . 0.0 111.845 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p -51.11 -29.91 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.621 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' O ' HG13 ' A' ' 35' ' ' ILE . 3.9 m-20 -60.89 -68.89 0.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.191 0.519 . . . . 0.0 110.513 176.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -66.23 -36.77 83.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.366 -175.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.3 t -63.17 -42.0 99.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.387 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.22 -38.97 92.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.301 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 31' ' ' ASP . 44.7 mt -68.61 -41.37 82.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.87 0.367 . . . . 0.0 110.694 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.97 -48.93 78.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.515 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.13 -29.01 69.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.585 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.49 -52.11 51.44 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.07 176.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -63.88 -36.66 84.66 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.072 0.463 . . . . 0.0 110.764 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -66.52 -48.1 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.589 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.08 -55.55 33.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.569 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.7 p -58.76 -46.96 86.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.699 0.285 . . . . 0.0 110.9 -176.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -57.19 -54.1 50.56 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.924 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.94 -43.26 96.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.636 -177.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.499 ' O ' HG22 ' A' ' 49' ' ' VAL . 83.7 mt -59.81 -26.48 65.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.737 0.303 . . . . 0.0 111.255 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.2 p -96.39 16.05 19.6 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.9 t -147.67 -20.48 0.37 Allowed 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.0 p -99.23 -41.31 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.862 -0.524 . . . . 0.0 111.835 -176.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.751 HG21 ' H ' ' A' ' 51' ' ' GLN . 4.8 m -76.99 171.63 11.9 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -176.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 51.3 Cg_exo -56.46 -11.74 7.02 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.26 2.64 . . . . 0.0 113.739 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.751 ' H ' HG21 ' A' ' 49' ' ' VAL . 48.9 tt0 75.35 -55.32 0.63 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.762 0.825 . . . . 0.0 111.752 173.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.9 m -66.65 -23.52 66.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.259 0.552 . . . . 0.0 110.959 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.481 ' HG2' ' HB3' ' A' ' 56' ' ' ALA . 8.0 tt0 -119.21 22.28 11.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.724 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.7 t -55.79 -46.94 77.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.518 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.588 ' HG3' HG22 ' B' ' 66' ' ' ILE . 35.1 tt0 -62.31 -41.06 98.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.382 -175.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.481 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . . . -66.61 -39.58 88.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.84 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.51 -37.99 86.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.697 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.37 88.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.818 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.96 -36.92 83.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.158 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.97 86.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.881 0.372 . . . . 0.0 110.547 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -64.95 -42.08 94.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.647 ' O ' HG12 ' A' ' 66' ' ' ILE . 48.5 t -56.64 -55.64 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.7 177.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -56.3 -35.76 67.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.618 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.2 t -63.76 -40.05 95.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.837 0.351 . . . . 0.0 110.232 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 69' ' ' VAL . 92.5 mt -67.51 -45.39 75.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.187 177.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.647 HG12 ' O ' ' A' ' 62' ' ' SER . 17.4 mm -56.98 -48.3 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.821 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -56.59 -44.11 80.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.062 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.31 84.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.074 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 65' ' ' LEU . 91.2 t -60.99 -49.08 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.481 ' HD2' HG23 ' A' ' 66' ' ' ILE . 29.1 mtpp -59.16 -39.63 83.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.288 -178.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.2 m -70.19 -28.45 65.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.355 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 72' ' ' ARG . 35.7 ttt-85 -87.89 -42.6 12.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.942 0.401 . . . . 0.0 111.149 -178.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.39 -1.01 57.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.444 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 N--CA 1.468 0.425 0 C-N-CA 123.82 0.848 . . . . 0.0 113.096 -179.552 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' B' ' 11' ' ' GLN . 12.9 t . . . . . 0 N--CA 1.445 -0.676 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.37 -26.26 67.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.02 -38.46 44.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.335 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.448 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 24.1 tp60 -63.76 -46.31 85.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.831 175.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.661 ' O ' HG22 ' B' ' 16' ' ' VAL . 53.0 tp -60.47 -55.52 32.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.802 -179.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 67.1 m -51.73 -44.42 63.26 Favored 'General case' 0 C--O 1.226 -0.16 0 O-C-N 123.428 0.455 . . . . 0.0 111.676 -176.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.18 90.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.566 0.222 . . . . 0.0 111.386 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.408 HG13 ' O ' ' B' ' 11' ' ' GLN . 75.7 mt -68.13 -45.85 82.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.675 0.274 . . . . 0.0 110.691 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.661 HG22 ' O ' ' B' ' 12' ' ' LEU . 2.1 t -69.0 -38.07 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -63.25 -36.97 85.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.815 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.77 ' O ' HG23 ' B' ' 22' ' ' VAL . 35.4 t70 -68.13 -43.93 77.24 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 25.9 mmt -54.79 -44.46 73.77 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.406 0.441 . . . . 0.0 110.961 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.8 mt -60.87 -40.45 85.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.343 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.27 -42.84 83.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.947 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.77 HG23 ' O ' ' B' ' 18' ' ' ASP . 47.7 t -56.89 -42.43 78.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 121.011 0.434 . . . . 0.0 110.488 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.17 -41.84 89.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.808 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -71.62 -43.15 66.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.39 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -64.49 -42.28 95.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.043 0.449 . . . . 0.0 111.197 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -87.0 -17.72 32.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.49 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.59 ' HZ3' ' HB3' ' B' ' 27' ' ' LYS . 8.9 mtpm? 52.11 46.76 26.06 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.417 0.448 . . . . 0.0 111.402 -177.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.83 124.63 90.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.79 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' B' ' 31' ' ' ASP . 36.7 Cg_exo -54.65 142.89 71.32 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.49 2.127 . . . . 0.0 111.696 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.58 ' O ' HD21 ' B' ' 34' ' ' LEU . 31.2 m -68.93 5.38 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.506 0.669 . . . . 0.0 111.266 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.534 ' O ' HG13 ' B' ' 35' ' ' ILE . 21.0 t70 -92.82 -57.8 2.54 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.547 172.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.21 -29.83 48.55 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.989 -174.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 20.6 p -62.56 -38.14 88.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.946 0.403 . . . . 0.0 110.134 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.58 HD21 ' O ' ' B' ' 30' ' ' VAL . 4.2 mm? -74.75 -32.42 62.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.673 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.534 HG13 ' O ' ' B' ' 31' ' ' ASP . 73.6 mt -65.53 -48.41 82.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 120.724 0.297 . . . . 0.0 110.301 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.482 ' CB ' HG23 ' A' ' 16' ' ' VAL . . . -55.8 -42.26 75.35 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.721 173.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.17 -46.54 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.821 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.72 -44.33 98.06 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.096 -0.574 . . . . 0.0 112.331 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -57.74 -48.97 78.1 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.008 0.433 . . . . 0.0 110.401 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.407 ' O ' HD23 ' B' ' 44' ' ' LEU . 56.2 ttp -67.16 -43.45 82.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.803 -177.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.84 83.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.98 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.7 m -57.47 -48.57 78.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.962 0.41 . . . . 0.0 110.983 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -63.37 -40.38 97.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.407 HD23 ' O ' ' B' ' 40' ' ' MET . 4.3 mm? -70.98 -41.95 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.465 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -68.91 -20.54 64.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.747 0.308 . . . . 0.0 111.756 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.2 p -101.01 13.05 36.48 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.462 -0.495 . . . . 0.0 112.003 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.3 p -139.82 -48.68 0.46 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.3 m -94.52 -10.46 32.14 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -167.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.658 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 21.1 m -120.28 164.45 22.65 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.658 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 10.0 Cg_endo -53.93 102.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.727 2.285 . . . . 0.0 112.032 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.508 ' HA ' ' HB3' ' B' ' 54' ' ' CYS . 4.0 pt20 -78.98 -0.65 31.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.724 -173.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 24.9 p -87.19 -24.52 24.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.348 0.594 . . . . 0.0 110.236 175.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -117.56 22.65 12.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . 0.508 ' HB3' ' HA ' ' B' ' 51' ' ' GLN . 4.9 p -48.97 -48.21 43.39 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.824 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.63 -45.27 94.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.627 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.52 73.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.494 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.17 -42.21 99.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.238 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.87 -43.71 98.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.944 0.402 . . . . 0.0 110.98 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -69.74 -37.36 76.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.61 87.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.775 0.321 . . . . 0.0 111.098 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -63.93 -43.69 95.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.768 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.599 ' O ' HG12 ' B' ' 66' ' ' ILE . 8.5 p -66.92 -43.07 84.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.229 -178.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -59.82 -33.02 71.21 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.809 0.337 . . . . 0.0 111.043 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 31.1 m -66.45 -39.48 88.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.948 0.404 . . . . 0.0 110.03 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.477 ' O ' HG22 ' B' ' 69' ' ' VAL . 98.7 mt -65.84 -35.61 81.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.495 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.599 HG12 ' O ' ' B' ' 62' ' ' SER . 40.2 mm -58.06 -41.85 81.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 121.382 0.611 . . . . 0.0 110.128 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.84 -37.64 86.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.349 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.22 85.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.18 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.477 HG22 ' O ' ' B' ' 65' ' ' LEU . 86.3 t -58.21 -46.53 88.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.903 0.382 . . . . 0.0 110.184 175.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.41 -38.33 89.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.86 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 40.1 m -60.46 -33.77 73.04 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 111.239 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -80.59 -37.54 31.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.074 0.464 . . . . 0.0 110.34 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 52.1 tp . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.106 -177.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.401 ' HB3' ' CB ' ' A' ' 11' ' ' GLN . 42.0 t . . . . . 0 N--CA 1.449 -0.479 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -70.66 -22.16 62.52 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.38 -33.48 37.16 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 57.7 tt0 -62.3 -46.14 90.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.385 173.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.588 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.4 tm? -57.18 -52.18 66.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.952 174.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -56.06 -40.87 74.19 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.296 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.85 78.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.797 0.332 . . . . 0.0 111.241 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.7 mt -72.2 -44.37 64.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.6 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.8 t -64.48 -38.49 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -56.38 -42.25 77.58 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.975 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.736 ' O ' HG22 ' A' ' 22' ' ' VAL . 6.8 t0 -62.45 -57.98 9.28 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.2 ttp -53.25 -44.96 68.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.778 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.0 mt -60.71 -45.57 97.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 110.452 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.37 -34.17 77.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.495 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 18' ' ' ASP . 60.1 t -66.68 -42.55 89.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.082 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.411 HD21 ' HE3' ' B' ' 40' ' ' MET . 9.4 mp -68.03 -35.53 78.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.595 178.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -65.33 -26.67 68.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.192 0.52 . . . . 0.0 109.724 174.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -75.32 -24.82 57.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.745 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -98.42 -34.52 10.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.957 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 tptm 57.46 78.62 0.22 Allowed 'General case' 0 CA--C 1.531 0.22 0 O-C-N 123.915 0.759 . . . . 0.0 111.37 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.86 143.69 26.81 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.158 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.23 38.62 0.55 Allowed 'Trans proline' 0 N--CA 1.477 0.528 0 C-N-CA 123.258 2.639 . . . . 0.0 114.235 -172.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.5 t 71.89 -52.23 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.604 0.762 . . . . 0.0 112.153 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.85 -59.73 4.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.137 0.494 . . . . 0.0 110.695 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD23 HD12 ' A' ' 35' ' ' ILE . 97.1 mt -66.35 -28.06 68.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.15 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -62.97 -39.24 94.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.978 0.418 . . . . 0.0 110.097 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -71.53 -38.43 71.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.81 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.466 HD12 HD23 ' A' ' 32' ' ' LEU . 54.1 mt -64.52 -43.15 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.668 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.429 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.51 -46.55 89.72 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.262 176.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.0 -41.49 87.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.715 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.8 -53.26 47.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.226 -0.512 . . . . 0.0 112.242 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 93.3 m-20 -61.04 -40.95 95.54 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.83 0.348 . . . . 0.0 110.719 178.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.9 ttt -64.65 -54.0 38.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.42 -177.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.51 84.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.375 -176.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 t -63.81 -40.57 96.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.542 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 24.3 t-20 -59.81 -45.71 91.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.823 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.54 -37.21 76.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.956 0.407 . . . . 0.0 111.098 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.3 mt -75.93 -13.4 60.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.668 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.411 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 18.8 p -107.59 8.68 29.31 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.741 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.7 p -126.44 -46.0 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.8 t -87.47 -56.23 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.72 -172.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.482 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 29.0 m -76.12 162.84 69.96 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.716 -177.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.527 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . 78.2 Cg_exo -47.17 119.65 3.66 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.984 2.456 . . . . 0.0 112.416 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.903 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 79.8 mt-30 -70.86 -21.09 62.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.969 -172.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 p -83.34 -14.56 52.64 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.629 0.728 . . . . 0.0 110.554 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.527 ' HB2' ' HB2' ' A' ' 50' ' ' PRO . 78.2 mt-30 -106.57 4.7 28.37 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.083 178.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.903 ' SG ' ' HA ' ' A' ' 51' ' ' GLN . 68.1 m -53.5 -45.55 69.72 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.363 0.414 . . . . 0.0 111.225 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.14 -44.99 90.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.94 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.11 76.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.217 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -68.58 -37.05 79.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.925 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.25 -44.68 95.99 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -59.67 -44.76 93.45 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.745 175.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.7 98.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -64.12 -55.26 23.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.649 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.639 ' O ' HG12 ' A' ' 66' ' ' ILE . 74.6 p -62.35 -46.57 88.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.183 -175.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -61.63 -30.9 71.01 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -65.93 -36.74 84.2 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 69' ' ' VAL . 4.1 mm? -71.99 -39.75 69.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.692 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.639 HG12 ' O ' ' A' ' 62' ' ' SER . 26.4 mm -60.51 -46.2 95.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.05 0.452 . . . . 0.0 109.853 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -63.08 -34.22 77.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.816 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.6 98.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.301 176.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 65' ' ' LEU . 89.5 t -62.19 -41.39 91.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.367 176.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 66' ' ' ILE . 73.9 mmtt -59.83 -41.99 92.57 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.409 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.8 m -72.21 -32.75 67.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.877 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -78.46 -15.89 58.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.133 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.7 tp -86.8 -51.44 6.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.073 0.463 . . . . 0.0 110.294 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.255 -179.236 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 63.2 m . . . . . 0 N--CA 1.437 -1.088 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -63.4 -14.58 51.86 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.47 -39.1 67.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.736 ' HA ' HE21 ' B' ' 11' ' ' GLN . 0.0 OUTLIER -69.09 -42.26 76.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.489 175.743 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.659 ' O ' HG21 ' B' ' 16' ' ' VAL . 42.4 tp -58.52 -54.18 49.91 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.605 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.3 m -53.33 -42.93 67.25 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 123.375 0.422 . . . . 0.0 111.242 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.62 88.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.115 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 60.6 mt -73.89 -46.31 46.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.355 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.659 HG21 ' O ' ' B' ' 12' ' ' LEU . 2.4 t -65.68 -39.54 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.028 0.442 . . . . 0.0 110.316 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -66.75 -33.82 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.737 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.742 ' O ' HG22 ' B' ' 22' ' ' VAL . 22.8 t70 -72.28 -34.72 68.39 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 56.1 mtt -58.63 -42.07 87.45 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 123.484 0.49 . . . . 0.0 110.945 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.98 -40.41 88.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.226 0.536 . . . . 0.0 109.874 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.91 -30.35 71.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.746 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.742 HG22 ' O ' ' B' ' 18' ' ' ASP . 47.0 t -62.61 -47.28 93.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.127 175.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.06 -40.75 94.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.463 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.74 -37.96 73.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.486 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.439 ' HZ3' ' CG ' ' A' ' 18' ' ' ASP . 28.8 ttpp -61.85 -43.48 98.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.43 -177.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -96.71 -2.17 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.805 0.336 . . . . 0.0 110.189 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp 55.6 76.54 0.27 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.547 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.59 118.47 45.16 Favored Pre-proline 0 N--CA 1.449 -0.517 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.688 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.7 165.56 30.48 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.231 1.954 . . . . 0.0 110.316 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.458 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 34.2 m -58.6 -29.62 39.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -174.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.457 ' O ' HG13 ' B' ' 35' ' ' ILE . 2.9 m-20 -56.43 -65.04 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.529 0.68 . . . . 0.0 110.071 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 mt -68.11 -33.76 75.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.867 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.495 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 43.5 t -62.91 -43.21 99.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.962 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' B' ' 30' ' ' VAL . 82.9 mt -66.98 -38.42 86.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.508 0.194 . . . . 0.0 110.757 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 31' ' ' ASP . 57.6 mt -64.17 -45.12 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.384 177.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.461 ' HA ' HG21 ' A' ' 16' ' ' VAL . . . -57.26 -44.92 84.34 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 176.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 33' ' ' SER . 93.5 mt -62.52 -42.17 99.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.416 177.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.66 -44.21 98.13 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.135 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -46.52 89.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.813 0.339 . . . . 0.0 110.476 178.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.542 ' HE2' HD23 ' B' ' 44' ' ' LEU . 15.8 tpt -64.03 -42.19 97.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.923 -178.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.09 91.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.669 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -62.78 -48.94 76.99 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.111 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -54.32 -47.63 72.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.979 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.542 HD23 ' HE2' ' B' ' 40' ' ' MET . 78.5 mt -63.02 -49.08 76.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.47 -178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.83 -12.17 61.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 20.8 p -105.02 1.24 28.43 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.06 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -135.13 -43.57 0.72 Allowed 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -178.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.4 m -89.98 9.71 26.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.951 0.405 . . . . 0.0 111.737 -170.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.6 HG12 HD13 ' B' ' 57' ' ' LEU . 34.2 m -98.58 147.8 33.66 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.34 -67.11 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.681 2.254 . . . . 0.0 111.85 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -170.46 -89.07 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.001 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -71.71 -11.51 60.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.339 0.59 . . . . 0.0 110.82 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -81.46 4.25 21.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.479 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . 0.407 ' HB3' HG22 ' B' ' 49' ' ' VAL . 11.2 p -57.55 -44.26 85.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.33 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -54.19 -53.35 54.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.232 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.37 86.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.522 -176.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.6 HD13 HG12 ' B' ' 49' ' ' VAL . 86.1 mt -71.98 -36.21 69.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.409 -176.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.17 -50.35 66.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 110.642 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.426 ' OE1' HD11 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -67.36 -31.94 72.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.044 178.472 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.7 83.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.902 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.87 -40.19 87.81 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.024 0.44 . . . . 0.0 110.101 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.717 ' O ' HG12 ' B' ' 66' ' ' ILE . 43.7 t -60.84 -64.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.638 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.72 -43.25 80.42 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.904 -172.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 69.2 p -63.11 -38.73 92.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.809 0.338 . . . . 0.0 110.84 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 tt -71.02 -39.84 72.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.832 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.717 HG12 ' O ' ' B' ' 62' ' ' SER . 20.2 mm -61.11 -46.54 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-O 121.252 0.548 . . . . 0.0 109.95 177.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . 0.414 ' HA ' ' HB2' ' B' ' 70' ' ' LYS . 61.5 t30 -63.79 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.757 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.252 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.0 -44.42 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.824 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' B' ' 67' ' ' ASN . 23.8 mmtm -54.89 -39.66 68.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.584 176.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 37.1 m -76.39 -26.79 55.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.515 -177.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -78.15 -39.68 40.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 0.0 110.019 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 53.6 tp . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.25 178.855 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.491 ' HB3' ' CB ' ' A' ' 11' ' ' GLN . 40.0 t . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -69.84 -19.9 63.44 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.44 -35.92 46.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.518 175.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.491 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 59.8 tt0 -64.35 -38.83 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.958 174.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 16' ' ' VAL . 63.0 tp -58.25 -54.77 43.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.474 177.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -35.42 64.91 Favored 'General case' 0 C--O 1.226 -0.137 0 O-C-N 123.069 0.231 . . . . 0.0 111.426 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.53 92.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 0.0 110.655 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.8 mt -64.18 -43.3 97.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.026 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.5 t -71.62 -27.57 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.174 0.512 . . . . 0.0 110.134 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -72.24 -35.29 68.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.454 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.728 ' O ' HG22 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -63.33 -42.26 98.94 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.371 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.528 ' HE3' HD21 ' B' ' 23' ' ' LEU . 22.9 mmt -51.6 -47.65 63.51 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.412 0.445 . . . . 0.0 110.809 176.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.93 -41.89 87.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.65 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.553 ' O ' ' HD3' ' A' ' 25' ' ' LYS . . . -66.0 -52.2 51.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.604 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 18' ' ' ASP . 48.4 t -54.9 -40.59 53.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.807 -178.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.416 HD13 ' HB3' ' A' ' 28' ' ' ALA . 37.2 tp -67.54 -38.79 84.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.015 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.26 -42.63 65.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.812 -174.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 2.4 mptm? -55.02 -56.29 21.44 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.881 0.372 . . . . 0.0 111.761 -176.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -79.03 -18.1 54.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 tttp 56.08 77.12 0.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.382 -175.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.416 ' HB3' HD13 ' A' ' 23' ' ' LEU . . . -99.04 120.15 59.11 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.182 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.15 162.69 31.9 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.545 2.163 . . . . 0.0 111.868 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.8 m -55.34 -27.21 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.787 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.506 ' O ' HG13 ' A' ' 35' ' ' ILE . 6.9 m-20 -64.59 -65.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.94 0.4 . . . . 0.0 110.525 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.5 mt -67.17 -34.0 76.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.415 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.437 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 39.2 t -63.69 -42.16 98.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.695 0.283 . . . . 0.0 110.528 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.43 -40.26 89.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.1 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 31' ' ' ASP . 49.3 mt -65.92 -41.73 90.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.5 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.443 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.04 -48.17 82.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.447 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 33' ' ' SER . 99.0 mt -62.29 -41.65 98.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.533 177.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.91 -49.62 73.87 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.436 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -60.13 -43.23 95.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.976 0.417 . . . . 0.0 110.612 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.429 ' O ' HD11 ' A' ' 44' ' ' LEU . 54.3 ttp -65.73 -51.37 59.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.059 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.21 -46.96 87.07 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.558 ' HB3' HD22 ' B' ' 65' ' ' LEU . 16.2 p -61.07 -46.26 91.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 110.479 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.63 -47.15 85.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.595 176.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.429 HD11 ' O ' ' A' ' 40' ' ' MET . 4.8 mp -57.98 -49.03 78.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.722 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 97.4 mt -63.9 -30.93 71.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.337 -177.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 p -96.88 11.14 36.92 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.937 -177.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.4 m -134.52 -46.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.425 ' HB3' HG12 ' B' ' 30' ' ' VAL . 17.5 m -82.81 -58.76 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.699 0.285 . . . . 0.0 111.764 -172.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.588 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 28.8 m -84.71 169.81 15.46 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -178.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.684 ' HB2' ' HB3' ' A' ' 53' ' ' GLN . 79.2 Cg_exo -48.7 117.95 3.06 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.63 2.22 . . . . 0.0 111.724 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -53.67 -43.62 69.03 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -169.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -16.55 30.53 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -176.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.684 ' HB3' ' HB2' ' A' ' 50' ' ' PRO . 59.5 tt0 -94.0 -3.98 50.44 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.354 0.597 . . . . 0.0 109.488 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 18.6 p -70.89 -30.05 66.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.205 -175.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.589 ' HG3' HG21 ' B' ' 66' ' ' ILE . 32.4 tt0 -62.44 -37.7 86.89 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.909 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.34 94.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.227 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.86 -40.21 91.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.214 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.79 97.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.812 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -67.06 -37.84 84.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 175.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.41 98.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.501 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -62.83 -38.2 89.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.166 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.651 ' O ' HG12 ' A' ' 66' ' ' ILE . 33.2 t -58.29 -57.77 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.141 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -56.58 -33.13 65.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.264 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.5 m -65.44 -41.23 93.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.254 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.448 ' O ' HG21 ' A' ' 69' ' ' VAL . 92.5 mt -67.92 -39.81 83.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.536 176.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.651 HG12 ' O ' ' A' ' 62' ' ' SER . 23.3 mm -59.98 -42.92 91.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -62.86 -40.0 96.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.611 175.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.26 90.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.611 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.521 HG11 ' HB3' ' B' ' 55' ' ' GLU . 92.7 t -59.38 -47.48 90.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.436 176.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -56.24 -47.98 77.4 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.759 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.7 m -67.56 -19.83 65.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.088 0.47 . . . . 0.0 111.331 -176.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -82.99 -39.57 21.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.948 0.404 . . . . 0.0 110.773 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.9 mt -93.55 -25.59 17.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.987 -175.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.321 -0.658 0 CA-C-O 121.101 0.477 . . . . 0.0 109.973 -176.446 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.473 ' HB2' ' HG2' ' B' ' 11' ' ' GLN . 58.8 m . . . . . 0 N--CA 1.446 -0.657 0 CA-C-O 121.165 0.507 . . . . 0.0 111.573 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.56 -20.72 61.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 171.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.19 -35.9 66.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.637 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.473 ' HG2' ' HB2' ' B' ' 8' ' ' SER . 75.3 mm-40 -67.22 -49.29 65.06 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.691 176.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.66 ' O ' HG21 ' B' ' 16' ' ' VAL . 52.0 tp -59.45 -56.07 26.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.007 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 72.1 p -57.8 -40.86 80.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.365 -174.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.92 -42.99 85.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.906 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.29 -53.86 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.983 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.66 HG21 ' O ' ' B' ' 12' ' ' LEU . 2.1 t -63.47 -43.25 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.783 0.325 . . . . 0.0 111.217 -173.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -72.17 -31.99 66.43 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.296 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.73 ' O ' HG21 ' B' ' 22' ' ' VAL . 22.2 t70 -72.45 -42.25 65.2 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 53.1 mtt -54.18 -46.95 72.49 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.471 0.482 . . . . 0.0 110.866 176.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 16' ' ' VAL . 77.0 mt -54.09 -45.96 66.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.991 0.424 . . . . 0.0 110.401 176.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.93 -37.86 85.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.373 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.73 HG21 ' O ' ' B' ' 18' ' ' ASP . 46.7 t -69.35 -38.2 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.699 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.528 HD21 ' HE3' ' A' ' 19' ' ' MET . 4.0 mm? -66.57 -44.21 82.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.714 0.292 . . . . 0.0 110.283 176.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -58.96 -38.53 79.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.431 0.634 . . . . 0.0 109.655 174.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 17.7 tppt? -57.99 -32.63 68.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.292 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -93.11 -14.52 27.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.039 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt 54.47 44.73 28.37 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 123.481 0.488 . . . . 0.0 110.825 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.9 123.9 83.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.342 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.37 158.93 37.96 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.296 1.997 . . . . 0.0 111.38 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.425 HG12 ' HB3' ' A' ' 48' ' ' SER . 33.1 m -63.07 -17.42 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.994 0.426 . . . . 0.0 111.013 -178.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.542 ' O ' HG13 ' B' ' 35' ' ' ILE . 18.1 t70 -68.78 -63.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.51 177.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.86 -33.08 71.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.797 -174.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 16.5 p -65.38 -38.72 90.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.799 0.333 . . . . 0.0 111.021 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 68.5 mt -72.68 -32.64 65.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.798 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.542 HG13 ' O ' ' B' ' 31' ' ' ASP . 62.3 mt -67.0 -39.07 82.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.834 0.35 . . . . 0.0 110.212 176.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.414 ' CB ' HG21 ' A' ' 16' ' ' VAL . . . -59.46 -46.87 87.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.113 174.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.81 -40.29 92.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.303 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.82 -53.81 42.32 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.422 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -60.25 -42.52 95.47 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.714 0.292 . . . . 0.0 111.009 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.9 ttt -62.42 -50.12 72.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.034 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.94 96.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.523 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 40.6 m -60.01 -49.24 78.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.22 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.32 -35.63 81.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.004 0.431 . . . . 0.0 110.388 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.64 -52.31 58.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.86 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.435 HD11 ' HB1' ' B' ' 58' ' ' ALA . 96.5 mt -65.07 -26.0 68.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.928 -175.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 15.9 p -89.38 -1.42 58.05 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.4 p -128.19 -44.7 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 17.0 m -89.09 -21.14 23.55 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -169.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.556 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 34.9 m -121.42 166.38 16.43 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.556 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 84.5 Cg_exo -48.06 119.82 4.29 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.941 2.428 . . . . 0.0 112.676 177.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.86 -31.38 72.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.892 -175.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' THR . . . . . 0.509 HG21 ' HG3' ' B' ' 53' ' ' GLN . 12.4 t -86.19 -5.94 59.09 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.386 -177.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.509 ' HG3' HG21 ' B' ' 52' ' ' THR . 24.4 mt-30 -126.45 6.0 6.93 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.739 -177.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 17.7 p -67.62 -31.4 71.4 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.732 -177.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.521 ' HB3' HG11 ' A' ' 69' ' ' VAL . 10.4 pt-20 -63.9 -34.58 78.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.992 0.425 . . . . 0.0 110.518 176.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.43 -44.31 71.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.303 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.86 -40.43 87.87 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.101 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.435 ' HB1' HD11 ' B' ' 45' ' ' LEU . . . -62.05 -45.5 93.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.104 0.478 . . . . 0.0 110.624 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -64.15 -40.58 96.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.292 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.25 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.146 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 80.3 t80 -55.65 -43.72 76.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.079 0.466 . . . . 0.0 110.191 178.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.684 ' O ' HG12 ' B' ' 66' ' ' ILE . 47.3 t -61.86 -51.38 68.45 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.64 176.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -55.42 -42.95 74.83 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.759 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 50.8 m -59.06 -38.14 78.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.569 177.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 42' ' ' SER . 80.4 mt -73.54 -38.58 65.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.684 HG12 ' O ' ' B' ' 62' ' ' SER . 49.2 mm -54.76 -49.32 69.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.448 0.642 . . . . 0.0 110.359 178.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -70.36 -32.25 69.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.702 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.25 86.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.734 0.302 . . . . 0.0 110.625 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 65' ' ' LEU . 75.5 t -57.49 -51.51 68.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.027 0.442 . . . . 0.0 109.844 174.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -58.71 -34.27 71.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.766 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 61.9 m -67.21 -34.15 76.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.556 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -87.6 -37.93 16.38 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.172 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 120.926 0.393 . . . . 0.0 111.332 -178.293 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.441 -0.907 0 CA-C-O 121.031 0.443 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.11 -14.39 47.95 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.93 -45.8 40.06 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.367 176.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 15' ' ' ILE . 22.0 mt-30 -76.88 -34.27 57.78 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.621 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.5 tp -60.15 -59.84 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.24 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 m -59.68 -32.3 70.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.202 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 17' ' ' ASN . . . -58.79 -45.78 89.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.575 0.226 . . . . 0.0 110.913 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.408 HG21 ' HE2' ' A' ' 19' ' ' MET . 70.2 mt -65.73 -47.98 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -66.22 -23.67 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.056 0.455 . . . . 0.0 109.888 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 14' ' ' ALA . 25.2 t-20 -66.21 -50.9 62.27 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.068 177.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.771 ' O ' HG22 ' A' ' 22' ' ' VAL . 4.5 p30 -75.88 -22.17 56.41 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.622 -177.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.408 ' HE2' HG21 ' A' ' 15' ' ' ILE . 56.0 mtt -56.96 -43.49 81.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.894 0.378 . . . . 0.0 110.127 169.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.14 -44.7 92.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.82 175.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . -60.93 -37.84 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.109 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.771 HG22 ' O ' ' A' ' 18' ' ' ASP . 43.2 t -61.74 -41.51 90.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-O 121.118 0.485 . . . . 0.0 110.224 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.87 -38.79 92.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.831 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.6 -21.93 59.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.75 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 63.0 mttp -75.65 -24.95 56.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.709 0.29 . . . . 0.0 111.336 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -110.26 -33.59 6.61 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.098 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 53.04 78.11 0.15 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.359 0.664 . . . . 0.0 112.427 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.5 148.74 35.64 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.833 176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD2' HD13 ' A' ' 32' ' ' LEU . 65.6 Cg_endo -73.26 43.31 0.72 Allowed 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.23 2.62 . . . . 0.0 113.979 -175.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.3 t 72.96 -54.78 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 123.659 0.784 . . . . 0.0 112.078 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.494 ' O ' HG13 ' A' ' 35' ' ' ILE . 23.6 t70 -61.02 -54.63 42.47 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.57 -176.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.487 HD22 HD12 ' A' ' 35' ' ' ILE . 97.8 mt -59.16 -32.03 69.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.152 177.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 m -63.99 -41.99 97.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.122 0.487 . . . . 0.0 110.172 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 99.3 mt -70.55 -30.53 67.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.73 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 31' ' ' ASP . 60.7 mt -68.6 -40.51 81.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.49 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.43 -43.79 96.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 110.091 175.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' B' ' 37' ' ' LEU . 52.3 tp -66.08 -39.74 90.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.444 177.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.62 -43.45 99.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.296 -0.478 . . . . 0.0 112.448 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -60.19 -42.65 95.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.413 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.5 ttt -63.85 -48.07 78.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.596 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.29 -51.3 67.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.011 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.6 m -59.08 -45.42 90.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.862 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -60.32 -55.48 33.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.303 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.12 -40.09 92.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.736 -175.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.2 mt -69.36 -30.2 68.16 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -177.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.1 p -93.88 4.71 53.52 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.9 -177.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.0 p -126.85 -47.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.7 m -83.99 -45.01 13.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.734 0.302 . . . . 0.0 111.689 -171.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.7 m -101.88 164.77 15.18 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.346 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.47 127.66 26.32 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.222 1.948 . . . . 0.0 111.635 175.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.562 ' HB3' HD23 ' B' ' 73' ' ' LEU . 25.0 mp0 -60.37 -37.36 80.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.977 -176.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.7 t -75.37 -14.13 60.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.133 0.492 . . . . 0.0 111.058 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.449 ' HG3' HD22 ' A' ' 57' ' ' LEU . 6.0 tp-100 -102.33 -27.17 12.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.872 -175.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.1 p -61.96 -29.81 70.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.552 -175.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.76 -43.94 90.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.967 0.413 . . . . 0.0 110.722 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.25 -44.6 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.61 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.449 HD22 ' HG3' ' A' ' 53' ' ' GLN . 4.4 mm? -63.7 -46.96 83.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.336 -179.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.73 97.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 110.975 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -64.58 -45.06 88.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.329 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.33 97.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.897 178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.503 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 44.4 t80 -60.91 -45.42 94.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.146 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.573 ' O ' HG12 ' A' ' 66' ' ' ILE . 25.4 m -64.29 -46.78 82.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -62.14 -33.77 75.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.311 . . . . 0.0 110.986 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -67.29 -35.52 79.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.542 ' O ' HG21 ' A' ' 69' ' ' VAL . 87.2 mt -67.32 -36.83 82.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.056 174.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 62' ' ' SER . 39.2 mm -58.23 -44.71 88.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.219 0.533 . . . . 0.0 109.683 175.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -62.96 -37.36 86.8 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.618 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.05 -40.66 91.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.605 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.542 HG21 ' O ' ' A' ' 65' ' ' LEU . 94.4 t -59.22 -46.21 92.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.515 176.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 66' ' ' ILE . 63.6 mttm -54.85 -46.13 74.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.095 0.474 . . . . 0.0 109.733 176.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.0 m -67.44 -26.83 66.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.272 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.521 ' HG3' HG22 ' B' ' 46' ' ' THR . 13.7 mmt180 -73.86 -41.48 62.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.791 0.329 . . . . 0.0 110.603 176.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.3 mp -68.66 -40.17 80.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 70' ' ' LYS . 44.9 mm-40 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.344 0.592 . . . . 0.0 110.157 176.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.48 ' HB2' ' HB3' ' B' ' 11' ' ' GLN . 16.2 m . . . . . 0 N--CA 1.439 -1.022 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.37 -26.06 51.58 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.53 -37.99 55.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.936 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.48 ' HB3' ' HB2' ' B' ' 8' ' ' SER . 34.3 tt0 -73.08 -43.87 61.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.992 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.6 ' O ' HG21 ' B' ' 16' ' ' VAL . 51.8 tp -61.69 -51.76 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.714 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 27.0 p -57.23 -40.98 78.63 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.956 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.67 -39.53 77.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.686 0.279 . . . . 0.0 111.341 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.52 -53.53 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.212 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.6 HG21 ' O ' ' B' ' 12' ' ' LEU . 1.2 t -70.28 -33.04 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 111.208 -174.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -69.12 -43.37 74.58 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.754 ' O ' HG21 ' B' ' 22' ' ' VAL . 27.0 t70 -65.73 -42.17 91.34 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.446 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 10.5 tpt -47.57 -50.57 23.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.247 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 16' ' ' VAL . 70.7 mt -63.41 -43.63 98.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -62.56 -38.61 90.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.708 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.754 HG21 ' O ' ' B' ' 18' ' ' ASP . 61.5 t -60.79 -43.39 95.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.375 176.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 19' ' ' MET . 91.5 mt -69.31 -25.54 64.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.285 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -78.63 -32.0 47.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.697 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 99.1 mttt -64.17 -40.18 95.58 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.19 0.519 . . . . 0.0 110.441 175.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -85.0 -20.46 30.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.627 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 tptp 60.03 80.08 0.22 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.778 -176.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.13 120.71 60.75 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.913 177.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.04 33.62 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.178 2.585 . . . . 0.0 113.801 -172.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.427 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 71.8 t 70.1 -53.32 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 123.574 0.749 . . . . 0.0 111.929 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -55.12 -65.96 0.49 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.171 0.588 . . . . 0.0 111.235 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.418 HD13 HD12 ' B' ' 35' ' ' ILE . 4.0 mm? -60.8 -26.72 67.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.371 176.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -68.24 -41.23 81.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.776 0.322 . . . . 0.0 110.16 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.608 HD23 HD23 ' B' ' 37' ' ' LEU . 93.8 mt -64.41 -37.97 89.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.418 HD12 HD13 ' B' ' 32' ' ' LEU . 55.7 mt -66.46 -39.22 83.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.516 176.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.37 -49.03 75.46 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.997 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.608 HD23 HD23 ' B' ' 34' ' ' LEU . 4.6 pp -69.46 -25.42 64.08 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.627 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.2 -47.49 71.87 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.448 173.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -60.66 -41.98 96.1 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.048 0.451 . . . . 0.0 110.013 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.452 ' HE2' HG12 ' A' ' 16' ' ' VAL . 54.0 tpp -60.19 -52.16 66.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.915 177.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.88 -46.55 74.79 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.125 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 24.6 m -56.07 -54.63 42.74 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.878 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.45 -49.28 77.89 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.232 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 63.4 mt -60.1 -43.04 95.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.918 0.39 . . . . 0.0 111.292 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.548 ' HB3' ' SG ' ' B' ' 54' ' ' CYS . 89.7 mt -72.74 -14.36 61.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.866 -178.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.521 HG22 ' HG3' ' A' ' 72' ' ' ARG . 19.8 p -110.61 -0.16 17.35 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.096 -0.641 . . . . 0.0 112.689 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 77.5 p -125.61 -28.81 3.24 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 21.6 m -107.78 -43.25 4.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -171.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.866 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 23.5 m -90.68 174.28 4.73 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.866 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 19.9 Cg_endo -60.9 101.6 0.18 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.0 1.8 . . . . 0.0 111.565 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -30.68 71.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.08 -177.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 12.3 t -75.08 -11.76 60.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -123.33 10.43 9.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.191 0.52 . . . . 0.0 109.92 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . 0.548 ' SG ' ' HB3' ' B' ' 45' ' ' LEU . 40.1 t -57.82 -40.2 79.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.274 -173.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -55.79 -46.64 77.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.023 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.26 -46.38 83.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.274 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.9 -47.98 78.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.295 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.71 83.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.12 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -68.47 -32.64 72.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.005 0.431 . . . . 0.0 110.617 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.01 -46.54 51.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.631 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -59.26 -45.33 91.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.598 ' O ' HG12 ' B' ' 66' ' ' ILE . 6.8 p -62.96 -56.85 13.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.751 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -58.74 -41.4 86.36 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 68.6 m -66.16 -34.66 78.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.997 0.427 . . . . 0.0 110.518 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.413 ' O ' HG22 ' B' ' 69' ' ' VAL . 41.5 tp -64.79 -38.7 91.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.331 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.598 HG12 ' O ' ' B' ' 62' ' ' SER . 28.3 mm -59.61 -41.77 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.191 0.52 . . . . 0.0 109.926 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -65.64 -36.77 84.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.287 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.5 99.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.666 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.413 HG22 ' O ' ' B' ' 65' ' ' LEU . 98.3 t -57.15 -47.82 83.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.433 175.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -61.6 -33.4 73.84 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.128 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 22.4 m -74.2 -15.04 61.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.395 0.617 . . . . 0.0 110.761 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -87.64 -26.61 22.94 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 176.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.562 HD23 ' HB3' ' A' ' 51' ' ' GLN . 4.6 mm? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.022 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.523 ' HB2' ' HG2' ' A' ' 11' ' ' GLN . 74.2 m . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -66.89 -21.5 66.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.55 82.43 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.655 174.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.523 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 27.7 mm-40 -61.5 -49.31 77.26 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.698 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.4 tp -57.16 -60.94 2.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.796 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -54.34 -41.67 69.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.886 -175.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.76 98.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 11' ' ' GLN . 69.1 mt -68.27 -46.57 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.239 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.2 t -63.04 -39.66 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -64.79 -38.58 91.47 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.105 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.72 ' O ' HG22 ' A' ' 22' ' ' VAL . 38.1 t70 -63.76 -50.59 68.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -43.95 64.47 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.344 0.402 . . . . 0.0 111.415 178.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 16' ' ' VAL . 80.7 mt -62.99 -47.01 94.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.689 0.281 . . . . 0.0 110.81 178.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.93 99.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.978 0.418 . . . . 0.0 111.033 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.72 HG22 ' O ' ' A' ' 18' ' ' ASP . 45.4 t -66.18 -37.98 80.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.289 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 33' ' ' SER . 63.5 tp -63.18 -48.3 78.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.21 176.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.92 -35.54 78.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.314 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -61.45 -29.55 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.854 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -89.49 -18.41 26.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.142 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.662 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER 62.58 32.2 16.54 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.665 178.173 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.16 120.91 82.97 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.85 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.88 175.84 3.44 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.767 2.311 . . . . 0.0 112.008 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.78 -20.58 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-O 121.076 0.465 . . . . 0.0 111.135 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.635 ' O ' HG12 ' A' ' 35' ' ' ILE . 2.4 m-20 -68.74 -73.51 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.137 0.494 . . . . 0.0 110.112 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.0 -36.67 70.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.598 -174.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.443 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 20.4 p -63.04 -44.08 96.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.689 0.281 . . . . 0.0 110.95 -177.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.92 -28.87 64.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.056 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.635 HG12 ' O ' ' A' ' 31' ' ' ASP . 24.1 mm -65.15 -48.08 85.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.451 ' CB ' HG23 ' B' ' 16' ' ' VAL . . . -60.46 -45.65 92.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.713 177.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 33' ' ' SER . 90.1 mt -63.79 -35.16 79.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.86 -42.08 99.75 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.089 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.99 -41.98 85.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.096 0.474 . . . . 0.0 110.024 177.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.5 ttt -64.45 -46.47 82.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.243 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.67 -51.21 70.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.467 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 p -65.23 -41.13 94.69 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 120.911 0.386 . . . . 0.0 111.167 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -60.44 -42.56 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.296 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.99 -44.75 75.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 94.4 mt -62.58 -18.62 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 111.595 -177.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.427 ' CG2' HG11 ' B' ' 69' ' ' VAL . 8.9 p -103.98 9.25 36.68 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.071 177.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.8 m -134.77 -47.4 0.74 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -175.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.5 p -91.74 -29.33 16.87 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -169.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.6 m -105.99 152.52 40.33 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.06 123.39 13.73 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.4 2.067 . . . . 0.0 111.705 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -60.0 -21.96 61.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.631 -176.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.6 m -76.45 -26.6 55.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.078 0.466 . . . . 0.0 110.949 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -114.62 7.58 16.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.136 0.493 . . . . 0.0 110.384 -174.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.4 p -58.23 -40.93 82.98 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.394 -175.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 59' ' ' GLN . 43.8 tt0 -61.84 -34.96 76.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.667 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.0 69.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.634 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.97 -50.21 74.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.177 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.09 -30.77 70.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.108 0.48 . . . . 0.0 111.24 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.538 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 2.0 tt0 -76.44 -31.26 57.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.44 -178.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.7 -40.56 55.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.52 176.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -57.83 -46.42 84.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.526 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.696 ' O ' HG12 ' A' ' 66' ' ' ILE . 4.1 p -65.97 -45.11 82.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.069 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -55.0 -39.42 69.04 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.695 0.283 . . . . 0.0 111.496 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.0 m -60.88 -44.13 97.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.31 0.576 . . . . 0.0 110.028 176.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.576 ' O ' HG21 ' A' ' 69' ' ' VAL . 96.4 mt -65.1 -39.23 92.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.012 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.696 HG12 ' O ' ' A' ' 62' ' ' SER . 28.4 mm -61.61 -37.75 78.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 120.914 0.388 . . . . 0.0 110.426 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.0 -36.36 84.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.519 176.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.24 85.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.191 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.576 HG21 ' O ' ' A' ' 65' ' ' LEU . 51.5 t -63.39 -38.07 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.294 176.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.89 -42.11 79.28 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.6 176.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.2 m -66.06 -32.68 74.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.816 0.341 . . . . 0.0 110.738 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.761 ' NH1' ' HA ' ' B' ' 46' ' ' THR . 24.6 mmm-85 -59.36 -53.65 55.8 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.428 0.633 . . . . 0.0 110.168 173.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.0 mt -67.31 -50.28 60.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.374 -176.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 . . . . . 0 C--N 1.319 -0.729 0 CA-C-O 121.476 0.655 . . . . 0.0 111.832 -175.429 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.17 -25.94 68.05 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 172.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.47 -31.63 37.28 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.399 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -70.36 -45.73 65.51 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 109.123 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.652 ' O ' HG22 ' B' ' 16' ' ' VAL . 61.5 tp -62.13 -53.6 53.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.858 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 74.5 p -55.9 -38.32 70.06 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.669 0.271 . . . . 0.0 110.845 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.66 -48.72 76.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.371 176.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 67.3 mt -66.56 -48.08 81.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.547 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.652 HG22 ' O ' ' B' ' 12' ' ' LEU . 3.3 t -63.46 -45.49 97.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -69.23 -25.53 64.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.944 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.714 ' O ' HG21 ' B' ' 22' ' ' VAL . 18.7 t0 -70.46 -45.68 65.29 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 177.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 64.6 mtt -57.43 -38.29 74.14 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.005 176.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 16' ' ' VAL . 68.7 mt -61.81 -39.95 85.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.181 176.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.28 75.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.452 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.714 HG21 ' O ' ' B' ' 18' ' ' ASP . 27.6 t -57.21 -49.18 80.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.28 0.562 . . . . 0.0 109.776 175.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.44 -43.45 98.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.751 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -69.41 -26.23 64.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.958 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -64.07 -36.04 82.71 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.155 0.502 . . . . 0.0 110.258 176.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -85.56 -32.76 21.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.221 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.4 tttp 56.62 67.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.829 -168.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -79.57 128.98 73.09 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.021 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.543 ' HD2' ' HB2' ' B' ' 32' ' ' LEU . 31.2 Cg_exo -58.99 160.16 19.34 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.731 2.287 . . . . 0.0 111.711 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 32.7 t -56.71 -31.45 35.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.99 0.424 . . . . 0.0 111.014 -176.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.507 ' O ' HG13 ' B' ' 35' ' ' ILE . 0.5 OUTLIER -76.11 -61.31 1.98 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.333 177.743 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.543 ' HB2' ' HD2' ' B' ' 29' ' ' PRO . 53.4 mt -56.31 -38.84 71.81 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.2 p -62.85 -44.4 96.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.759 0.314 . . . . 0.0 111.416 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.7 -34.21 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.921 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.507 HG13 ' O ' ' B' ' 31' ' ' ASP . 56.2 mt -69.63 -37.2 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.778 0.323 . . . . 0.0 110.405 178.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.42 ' HA ' HG21 ' A' ' 16' ' ' VAL . . . -62.36 -46.37 88.97 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 120.855 0.36 . . . . 0.0 110.046 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.17 -42.74 95.61 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.87 -52.56 52.53 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.605 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -58.0 -41.75 83.73 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 111.16 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 45.4 ttp -66.33 -47.58 73.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.74 -46.3 88.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.3 t -59.12 -43.81 91.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.754 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -59.56 -38.77 81.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.81 -44.54 55.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.8 0.333 . . . . 0.0 110.936 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.543 ' HB3' ' SG ' ' B' ' 54' ' ' CYS . 96.6 mt -63.49 -27.77 69.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.446 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.761 ' HA ' ' NH1' ' A' ' 72' ' ' ARG . 33.8 p -94.62 0.76 55.4 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.865 -174.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 22.7 p -122.8 -47.36 2.07 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 11.6 m -100.86 -5.17 26.51 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -170.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.443 HG22 HD21 ' B' ' 45' ' ' LEU . 39.0 t -113.9 128.4 25.8 Favored Pre-proline 0 C--N 1.326 -0.446 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.956 -177.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.66 152.31 13.07 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.363 2.709 . . . . 0.0 112.629 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -52.6 -64.31 0.86 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.436 -173.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 9.7 t -76.35 -22.37 54.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.766 0.317 . . . . 0.0 111.233 -172.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 8.6 tt0 -74.75 -35.65 62.61 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . 0.543 ' SG ' ' HB3' ' B' ' 45' ' ' LEU . 34.7 t -56.87 -44.85 82.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.621 -176.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -64.75 -45.32 86.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 111.032 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.04 -30.07 58.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.468 -174.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 10.3 tp -72.15 -41.48 67.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.558 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.08 96.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.545 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.668 HE21 HG13 ' A' ' 66' ' ' ILE . 58.4 mm-40 -66.05 -34.46 78.12 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.05 -44.11 63.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.79 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -61.83 -43.5 98.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.751 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.641 ' O ' HG12 ' B' ' 66' ' ' ILE . 29.4 p -63.6 -53.57 49.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -60.43 -32.8 71.71 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -64.1 -44.04 93.5 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 80.4 mt -67.93 -33.37 74.54 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.641 HG12 ' O ' ' B' ' 62' ' ' SER . 50.9 mm -55.53 -50.19 68.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.011 0.434 . . . . 0.0 110.221 176.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -75.93 -27.21 57.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.742 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.11 -49.44 72.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.427 HG11 ' CG2' ' A' ' 46' ' ' THR . 76.9 t -62.06 -41.98 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.155 175.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.25 -54.0 48.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.193 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.7 m -75.64 -13.81 60.34 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.382 0.611 . . . . 0.0 110.991 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' B' ' 72' ' ' ARG . 23.4 ttt85 -84.11 -28.98 27.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.069 176.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 56.3 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.192 176.621 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.444 -0.769 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -73.05 -12.26 60.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.14 0.495 . . . . 0.0 110.66 -175.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.26 -38.24 31.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -62.63 -37.26 85.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.61 172.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 16' ' ' VAL . 41.1 tp -54.85 -52.76 61.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.283 174.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.2 m -55.23 -37.83 67.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.238 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.97 -33.78 76.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.8 mt -72.34 -45.77 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.979 0.419 . . . . 0.0 110.249 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 12' ' ' LEU . 1.7 t -68.17 -36.31 74.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.939 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -60.75 -43.43 97.97 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.161 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.725 ' O ' HG22 ' A' ' 22' ' ' VAL . 31.5 t0 -66.13 -46.37 77.74 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 43.3 ttm -51.22 -44.79 61.72 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.368 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 16' ' ' VAL . 78.3 mt -63.24 -41.98 94.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.758 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.23 -41.38 90.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 18' ' ' ASP . 29.0 t -60.86 -45.98 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.05 177.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.476 HD12 ' HE1' ' B' ' 19' ' ' MET . 56.3 tp -60.34 -47.16 87.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.044 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -66.31 -26.19 67.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.692 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -70.14 -42.75 72.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.388 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -92.78 -2.51 55.9 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 60.46 89.42 0.07 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.261 0.553 . . . . 0.0 112.365 175.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.461 ' HB2' HD13 ' B' ' 15' ' ' ILE . . . -127.99 111.31 20.15 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.017 173.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HD2' HD12 ' A' ' 32' ' ' LEU . 19.2 Cg_endo -60.86 168.06 7.74 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.757 2.304 . . . . 0.0 111.965 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -54.2 -27.64 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 121.02 0.438 . . . . 0.0 111.933 -175.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.533 ' O ' HG13 ' A' ' 35' ' ' ILE . 31.2 t70 -75.03 -61.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.451 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.406 HD12 ' HD2' ' A' ' 29' ' ' PRO . 69.5 mt -59.59 -39.54 84.49 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 p -64.58 -40.16 95.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 110.574 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tt -64.76 -35.76 82.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.679 177.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 31' ' ' ASP . 65.6 mt -66.29 -40.62 87.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.711 177.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.486 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -59.99 -50.49 73.54 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 110.514 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.81 -42.69 94.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.741 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.12 -51.59 56.53 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.768 177.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -58.21 -45.45 87.62 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.883 0.373 . . . . 0.0 110.997 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.9 ttt -62.73 -48.02 81.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.842 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.75 84.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.32 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -59.06 -52.89 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.401 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -60.46 -38.05 82.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.162 0.506 . . . . 0.0 111.131 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.49 -52.32 33.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.468 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.63 -27.07 68.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.867 0.365 . . . . 0.0 111.466 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.2 p -92.13 14.18 16.83 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.964 0.411 . . . . 0.0 111.34 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.1 m -136.01 -51.27 0.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.861 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.3 p -81.13 -68.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -170.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.69 143.54 75.67 Favored Pre-proline 0 C--O 1.235 0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.407 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.12 115.54 1.77 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.453 2.769 . . . . 0.0 112.296 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -56.7 -34.49 67.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.747 -175.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.7 m -59.54 -33.91 71.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.527 -176.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -122.95 21.43 9.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.872 0.368 . . . . 0.0 110.455 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.8 t -59.58 -49.09 79.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.627 -175.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -62.39 -31.44 72.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.938 0.399 . . . . 0.0 111.327 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.24 -41.63 66.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.404 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.1 mt -67.87 -36.81 80.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.596 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.25 97.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.716 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -65.97 -35.3 80.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.97 95.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -67.98 -47.01 69.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.651 ' O ' HG12 ' A' ' 66' ' ' ILE . 67.7 p -61.78 -52.8 62.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.049 -177.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -36.9 76.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.691 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.3 m -62.58 -39.22 93.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.278 177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 69' ' ' VAL . 90.9 mt -67.2 -42.62 83.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.323 176.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.651 HG12 ' O ' ' A' ' 62' ' ' SER . 28.2 mm -57.99 -45.83 87.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.239 0.543 . . . . 0.0 110.581 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -79.01 -21.85 46.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.041 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.584 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -67.14 -42.26 84.69 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 174.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 65' ' ' LEU . 95.7 t -59.9 -45.23 95.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.003 175.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' HZ1' HG22 ' A' ' 66' ' ' ILE . 63.1 mttp -56.33 -39.2 72.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.906 176.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.1 m -71.14 -23.16 62.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 22.1 mmt180 -80.06 -24.65 40.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.138 0.494 . . . . 0.0 109.939 176.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.4 mt -89.21 -41.02 12.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.611 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.231 -176.622 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.472 ' HB2' ' HB2' ' B' ' 11' ' ' GLN . 1.2 m . . . . . 0 N--CA 1.434 -1.255 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -59.76 -18.71 45.3 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 174.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.88 38.49 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.862 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.472 ' HB2' ' HB2' ' B' ' 8' ' ' SER . 14.1 mm100 -68.85 -41.42 78.47 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.394 177.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.716 ' O ' HG21 ' B' ' 16' ' ' VAL . 42.8 tp -60.13 -57.74 11.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.187 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 48.0 m -53.01 -40.95 64.21 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.375 0.422 . . . . 0.0 111.31 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.77 -43.61 98.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.204 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.626 ' HA ' ' OD2' ' B' ' 18' ' ' ASP . 64.1 mt -74.83 -36.92 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.633 -176.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.716 HG21 ' O ' ' B' ' 12' ' ' LEU . 3.2 t -65.46 -33.48 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -72.66 -26.6 61.69 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.946 176.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.626 ' OD2' ' HA ' ' B' ' 15' ' ' ILE . 43.6 m-20 -58.38 -58.35 8.91 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.476 ' HE1' HD12 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -51.65 -47.75 63.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.337 179.2 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.41 -50.3 73.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.457 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.664 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -67.01 -43.44 82.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -174.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.499 HG21 ' O ' ' B' ' 18' ' ' ASP . 94.2 t -63.6 -43.46 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.747 0.308 . . . . 0.0 110.833 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.72 -30.12 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.807 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -66.01 -38.79 89.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.44 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.664 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 39.4 mmtm -63.33 -41.03 98.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.293 -177.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -82.2 -24.33 34.98 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.739 ' HZ2' ' HB2' ' B' ' 27' ' ' LYS . 2.2 ttmp? 58.36 79.53 0.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.85 174.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' B' ' 32' ' ' LEU . . . -90.34 138.97 26.81 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.002 175.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.67 51.48 2.67 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.186 2.591 . . . . 0.0 113.767 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 81.7 t 73.49 -50.72 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 123.083 0.553 . . . . 0.0 112.094 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.553 ' O ' HG13 ' B' ' 35' ' ' ILE . 23.3 m-20 -51.48 -66.07 0.45 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.081 0.467 . . . . 0.0 110.957 -178.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.474 ' HB2' ' HB2' ' B' ' 28' ' ' ALA . 95.4 mt -62.04 -34.71 76.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.144 -177.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -60.62 -45.67 93.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.289 0.566 . . . . 0.0 110.365 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.03 -40.7 71.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.706 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 31' ' ' ASP . 52.5 mt -67.81 -33.95 64.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.906 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.426 ' CB ' HG23 ' A' ' 16' ' ' VAL . . . -60.45 -45.99 91.68 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.985 0.421 . . . . 0.0 109.959 174.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.74 -37.22 85.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.497 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.96 -46.29 94.88 Favored Glycine 0 C--N 1.33 0.212 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.316 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -59.09 -42.41 90.38 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.602 0.239 . . . . 0.0 110.634 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 85.8 mmm -62.22 -51.18 68.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.18 -46.52 79.34 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.107 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.2 t -61.82 -54.74 38.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.552 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -57.4 -43.48 83.77 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.385 -175.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 mt -64.89 -43.82 91.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.023 0.44 . . . . 0.0 111.772 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.48 ' HA ' HG23 ' B' ' 49' ' ' VAL . 98.1 mt -80.18 -9.42 59.72 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.701 -175.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.492 HG22 ' HG3' ' A' ' 72' ' ' ARG . 30.0 p -112.73 3.33 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.72 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 10.7 m -140.53 -34.76 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -176.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.7 m -93.85 -50.07 5.53 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.71 -172.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.48 HG23 ' HA ' ' B' ' 45' ' ' LEU . 34.7 m -89.79 158.94 44.3 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 121.234 -0.186 . . . . 0.0 110.933 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -53.8 128.07 28.1 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.683 2.255 . . . . 0.0 111.925 176.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.401 ' HA ' ' SG ' ' B' ' 54' ' ' CYS . 77.8 mt-30 -74.95 2.15 11.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.997 -173.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 10.8 m -96.08 -32.7 12.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.26 0.553 . . . . 0.0 110.511 174.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -100.47 -9.37 22.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.153 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' B' ' 51' ' ' GLN . 19.6 p -61.53 -48.43 81.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.452 -174.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.486 ' HG3' HG21 ' A' ' 66' ' ' ILE . 39.7 tt0 -61.82 -36.2 80.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.689 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.24 -53.23 39.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.127 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.81 -37.97 89.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.25 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.93 92.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.871 0.367 . . . . 0.0 111.146 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.46 ' NE2' ' HG2' ' B' ' 55' ' ' GLU . 47.6 mt-30 -69.36 -48.23 61.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.615 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.83 85.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.773 0.32 . . . . 0.0 111.573 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -65.11 -49.27 70.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.56 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.597 ' O ' HG12 ' B' ' 66' ' ' ILE . 16.2 p -66.22 -38.7 88.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.141 -178.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -59.21 -43.13 92.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.808 -0.178 . . . . 0.0 111.275 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 95.4 p -64.16 -33.4 75.7 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.624 -0.431 . . . . 0.0 109.936 178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 69' ' ' VAL . 93.7 mt -68.44 -37.72 80.51 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.552 176.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.597 HG12 ' O ' ' B' ' 62' ' ' SER . 39.9 mm -56.92 -48.52 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 121.288 0.566 . . . . 0.0 109.787 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -64.48 -39.39 93.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.575 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' B' ' 72' ' ' ARG . . . -61.91 -47.73 83.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 178.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 65' ' ' LEU . 70.4 t -57.44 -46.88 85.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.832 0.349 . . . . 0.0 110.644 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.18 -34.77 74.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 25.4 m -79.4 -19.85 49.04 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.204 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' B' ' 68' ' ' ALA . 12.3 mmm-85 -81.47 -43.84 18.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.616 179.68 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.576 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 47.5 t . . . . . 0 N--CA 1.441 -0.911 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -69.92 -15.64 63.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.14 -45.13 18.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.746 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.576 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 14.4 mm100 -72.73 -32.73 65.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.44 176.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -59.02 -61.25 2.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.591 177.524 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.0 p -56.67 -37.92 71.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.468 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 18' ' ' ASP . . . -57.48 -40.93 79.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.806 0.336 . . . . 0.0 111.021 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.6 mt -74.65 -40.78 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.317 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.4 t -63.32 -45.03 99.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.9 0.381 . . . . 0.0 110.257 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -71.69 -23.46 61.66 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.685 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.741 ' O ' HG21 ' A' ' 22' ' ' VAL . 14.9 t70 -65.87 -51.58 57.57 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 175.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.9 mtt -54.93 -38.51 67.76 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.165 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.94 -45.04 99.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.147 0.498 . . . . 0.0 110.385 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 25' ' ' LYS . . . -64.74 -39.08 93.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.016 177.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.741 HG21 ' O ' ' A' ' 18' ' ' ASP . 39.6 t -66.16 -33.74 65.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.216 177.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.59 -40.32 96.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.092 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -88.34 -12.65 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 111.088 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 35.0 tptt -73.28 -43.48 60.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.585 0.707 . . . . 0.0 109.12 176.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -85.56 -20.68 29.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 171.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.0 tttp 55.85 90.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 113.899 -1.5 . . . . 0.0 112.01 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -116.52 135.52 22.92 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.88 175.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.798 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 14.1 Cg_exo -69.19 168.49 20.66 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.668 2.245 . . . . 0.0 111.253 176.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.469 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 59.5 t -60.87 -43.05 94.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.761 0.315 . . . . 0.0 111.065 -175.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.443 ' O ' HG13 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -69.76 -51.01 37.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -178.473 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.798 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 4.1 mm? -54.74 -42.74 71.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.679 0.276 . . . . 0.0 110.861 176.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.41 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 34.2 t -61.76 -47.3 85.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.961 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 80.2 mt -62.44 -40.11 95.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.57 0.224 . . . . 0.0 111.333 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 31' ' ' ASP . 60.1 mt -69.43 -39.6 78.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.878 0.371 . . . . 0.0 110.33 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -62.42 -45.54 92.66 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.377 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 33' ' ' SER . 88.7 mt -61.49 -36.36 80.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.358 177.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.82 -51.68 57.52 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.088 176.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -61.87 -46.33 89.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.04 0.448 . . . . 0.0 110.453 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.0 ttt -61.27 -51.76 67.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.49 -176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.98 75.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.083 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 m -55.72 -48.25 75.49 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.54 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -57.1 -49.28 76.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.22 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.401 ' HA ' HG23 ' A' ' 47' ' ' THR . 88.0 mt -71.05 -38.58 72.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.356 -176.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.482 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 86.0 mt -71.44 -13.66 61.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.357 -178.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.6 p -105.36 13.26 30.61 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.85 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.401 HG23 ' HA ' ' A' ' 44' ' ' LEU . 11.1 t -134.45 -44.03 0.76 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.342 -0.543 . . . . 0.0 112.412 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.9 t -81.37 -43.44 19.0 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 121.886 -0.509 . . . . 0.0 111.201 -177.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 27.5 m -102.56 149.6 36.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.146 -177.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 49' ' ' VAL . 22.1 Cg_exo -65.81 139.74 58.5 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 123.012 2.475 . . . . 0.0 111.797 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.559 ' HG2' HD11 ' B' ' 73' ' ' LEU . 21.0 mp0 -56.51 -36.46 69.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.276 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.6 t -65.94 -18.92 65.67 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.507 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -107.72 -21.33 12.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.643 0.259 . . . . 0.0 110.641 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 37.0 t -55.08 -53.81 51.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.583 -174.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.72 ' HG3' HG22 ' B' ' 66' ' ' ILE . 41.3 tt0 -58.16 -41.68 84.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.986 0.422 . . . . 0.0 110.795 -178.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.04 -53.73 41.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.111 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mp -66.28 -39.88 89.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.67 -176.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.1 88.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.838 0.352 . . . . 0.0 110.809 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -70.28 -35.58 73.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.439 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.13 89.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.076 0.465 . . . . 0.0 110.185 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.422 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 69.0 t80 -61.85 -38.2 87.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.108 176.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.682 ' O ' HG12 ' A' ' 66' ' ' ILE . 15.9 t -61.79 -52.43 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.75 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -56.49 -36.8 69.54 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.2 m -63.75 -42.0 97.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.254 177.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 69' ' ' VAL . 97.2 mt -65.96 -38.04 87.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.3 177.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.682 HG12 ' O ' ' A' ' 62' ' ' SER . 39.0 mm -59.45 -45.92 93.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.9 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -66.14 -41.16 90.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.733 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.21 92.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.636 HG13 ' HB2' ' B' ' 55' ' ' GLU . 76.1 t -60.27 -49.56 83.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 177.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.532 ' HZ1' HG21 ' A' ' 66' ' ' ILE . 61.8 mttp -59.84 -37.09 78.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.318 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.1 m -59.39 -37.34 77.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.859 0.361 . . . . 0.0 110.816 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.2 mmm-85 -71.98 -41.8 67.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.004 0.431 . . . . 0.0 110.522 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.52 -16.01 62.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.014 175.576 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.544 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 46.8 t . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -67.29 -23.52 65.67 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 175.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.43 -45.78 44.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.163 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.544 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 15.7 mm100 -66.12 -38.36 87.98 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.634 ' O ' HG21 ' B' ' 16' ' ' VAL . 57.9 tp -56.51 -58.69 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.944 177.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 23.8 p -56.91 -39.9 75.29 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 123.17 0.294 . . . . 0.0 111.419 -175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.17 83.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 0.0 111.168 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 79.2 mt -69.74 -50.47 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.999 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.634 HG21 ' O ' ' B' ' 12' ' ' LEU . 1.6 t -63.65 -42.95 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.974 0.416 . . . . 0.0 110.246 -178.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -53.01 -48.68 67.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.077 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.744 ' O ' HG23 ' B' ' 22' ' ' VAL . 25.9 t0 -63.61 -52.77 59.42 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.167 -177.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 54.4 mtm -55.88 -41.12 73.97 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.204 0.315 . . . . 0.0 111.691 -176.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.8 mt -65.17 -42.44 94.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 120.763 0.315 . . . . 0.0 110.661 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.27 -40.81 86.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.923 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.744 HG23 ' O ' ' B' ' 18' ' ' ASP . 48.2 t -59.61 -45.11 94.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.969 177.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.468 HD13 ' OG ' ' B' ' 33' ' ' SER . 6.2 tt -60.06 -51.43 69.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.243 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.03 -42.84 99.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.195 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -75.98 -18.44 59.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 110.927 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -81.68 -11.39 59.08 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 tttp 64.87 34.18 9.43 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.995 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.45 124.51 80.21 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.497 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.08 155.02 52.68 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.24 1.96 . . . . 0.0 111.554 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.45 -22.45 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -176.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.411 ' O ' HG13 ' B' ' 35' ' ' ILE . 7.3 m-20 -62.04 -69.85 0.23 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.585 0.707 . . . . 0.0 110.449 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.99 -30.52 66.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.163 -174.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.468 ' OG ' HD13 ' B' ' 23' ' ' LEU . 32.8 t -64.72 -40.86 96.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.207 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.61 -43.76 95.96 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.494 ' CG2' HD13 ' A' ' 12' ' ' LEU . 22.7 mt -69.17 -34.39 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.439 ' HA ' HG21 ' A' ' 16' ' ' VAL . . . -61.11 -51.93 67.04 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 174.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.4 -38.37 80.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.246 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.42 -53.98 37.76 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.383 177.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -60.2 -40.16 89.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.564 0.221 . . . . 0.0 111.239 178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.48 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 27.1 ttt -67.1 -51.34 55.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.56 69.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.21 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 12.9 p -58.06 -48.05 81.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.749 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -57.7 -40.84 80.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.047 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' B' ' 40' ' ' MET . 73.4 mt -67.23 -54.64 19.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.007 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mp -68.37 -8.46 40.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -175.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.3 p -106.32 10.64 31.6 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.701 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.3 m -140.37 -45.27 0.41 Allowed 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 54.3 p -85.21 -39.1 18.19 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -171.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 35.9 m -96.4 155.22 38.22 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.496 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.453 ' HG2' ' HG2' ' B' ' 53' ' ' GLN . 11.6 Cg_endo -57.71 121.82 10.68 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.496 2.131 . . . . 0.0 112.209 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.456 ' HA ' ' SG ' ' B' ' 54' ' ' CYS . 11.0 pt20 -59.32 -18.14 35.37 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.659 -178.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 25.8 m -61.56 -37.87 85.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.976 0.417 . . . . 0.0 111.055 177.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.453 ' HG2' ' HG2' ' B' ' 50' ' ' PRO . 4.1 pt20 -119.24 2.71 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.192 -173.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' B' ' 51' ' ' GLN . 27.8 p -59.1 -43.65 91.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.665 -173.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.636 ' HB2' HG13 ' A' ' 69' ' ' VAL . 36.7 tt0 -61.23 -41.19 96.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.713 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.38 93.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.641 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 mp -67.47 -37.01 82.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.302 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.21 89.99 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.216 0.531 . . . . 0.0 110.382 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.36 -49.32 76.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.932 176.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.53 -33.21 75.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.749 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.499 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 86.8 t80 -59.71 -55.05 39.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.021 0.439 . . . . 0.0 110.106 177.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.598 ' O ' HG12 ' B' ' 66' ' ' ILE . 41.7 t -67.86 -36.48 80.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.622 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -57.61 -40.89 80.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.586 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 33.8 t -68.61 -30.32 69.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.124 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.557 ' O ' HG21 ' B' ' 69' ' ' VAL . 87.3 mt -65.01 -48.19 74.83 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 175.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.72 HG22 ' HG3' ' A' ' 55' ' ' GLU . 18.0 mm -53.67 -45.59 60.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.547 0.689 . . . . 0.0 109.871 177.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -65.24 -43.77 90.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.884 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.76 92.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.214 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.557 HG21 ' O ' ' B' ' 65' ' ' LEU . 92.0 t -59.82 -48.92 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.824 178.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -67.75 -31.94 72.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.869 0.366 . . . . 0.0 111.041 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 41.3 m -70.19 -23.24 62.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.289 0.566 . . . . 0.0 110.259 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -79.68 -27.3 40.8 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.559 HD11 ' HG2' ' A' ' 51' ' ' GLN . 9.2 mp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.437 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.482 ' HB2' ' CG ' ' A' ' 11' ' ' GLN . 66.3 m . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.89 -28.89 66.58 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.2 -39.2 75.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.085 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.482 ' CG ' ' HB2' ' A' ' 8' ' ' SER . 67.0 mm-40 -65.32 -49.53 69.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.107 177.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 16' ' ' VAL . 56.8 tp -60.31 -57.11 14.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.033 -177.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.5 p -54.86 -39.44 68.63 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.01 79.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.719 0.295 . . . . 0.0 110.956 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.31 -46.55 96.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.443 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 12' ' ' LEU . 1.7 t -70.91 -33.94 53.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.182 0.515 . . . . 0.0 109.811 -176.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.35 -29.45 67.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.441 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.746 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 m-20 -63.88 -46.02 86.79 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.2 mtt -56.48 -39.23 72.89 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.898 0.749 . . . . 0.0 110.761 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.7 mt -61.44 -43.65 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.71 86.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 18' ' ' ASP . 44.6 t -58.39 -42.56 84.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 121.21 0.529 . . . . 0.0 110.117 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.74 -44.01 93.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.881 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -72.47 -42.98 64.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.446 -176.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.04 -41.98 94.74 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -176.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -85.82 -11.26 53.86 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.658 -0.417 . . . . 0.0 109.961 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.941 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER 63.96 87.17 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.204 179.02 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' HB1' HD12 ' B' ' 15' ' ' ILE . . . -130.94 132.57 23.97 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.506 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.704 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 7.5 Cg_exo -71.27 166.0 30.66 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.595 2.196 . . . . 0.0 111.38 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.7 m -64.21 -16.72 19.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -176.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.539 ' O ' HG13 ' A' ' 35' ' ' ILE . 12.0 p-10 -90.08 -45.67 8.99 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.493 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.704 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 40.2 mt -65.51 -42.36 92.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.626 0.25 . . . . 0.0 111.291 177.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.3 p -64.86 -31.95 73.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.948 0.404 . . . . 0.0 110.516 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.541 HD13 HD11 ' A' ' 37' ' ' LEU . 13.8 tp -65.69 -36.48 83.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.938 177.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 31' ' ' ASP . 56.2 mt -69.03 -36.78 75.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.342 177.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -59.9 -41.33 91.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.83 0.347 . . . . 0.0 110.258 174.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.541 HD11 HD13 ' A' ' 34' ' ' LEU . 95.9 mt -58.73 -42.63 89.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.419 176.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.91 -43.27 94.07 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.622 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -60.8 -44.12 97.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 0.0 110.477 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.4 tpt -66.42 -47.61 72.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.661 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.473 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -52.78 -53.93 41.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.564 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 p -61.87 -44.45 96.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.832 0.349 . . . . 0.0 111.374 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -66.88 -36.71 82.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.753 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.6 -42.49 74.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.517 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 95.5 mt -65.69 -25.86 67.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.9 p -93.8 15.99 15.22 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.752 0.31 . . . . 0.0 111.342 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.7 m -132.54 -51.39 0.93 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 p -88.97 -21.38 23.57 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -169.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.5 138.71 27.72 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.378 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -49.12 145.65 14.07 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.603 2.869 . . . . 0.0 112.499 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.431 ' H ' ' NE2' ' A' ' 51' ' ' GLN . 1.4 mp0 -56.49 -54.17 48.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.009 -172.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 t -64.93 -24.13 67.43 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -174.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -94.64 -12.69 26.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.679 0.276 . . . . 0.0 111.08 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.517 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 37.4 t -59.04 -48.1 82.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.574 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.84 -35.69 75.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.254 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.08 -52.08 13.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.454 -176.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.15 -38.95 89.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.411 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.93 92.81 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.383 177.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -65.33 -50.48 65.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.02 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.13 -47.78 84.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.428 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -56.09 -49.97 72.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.425 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.511 ' O ' HG12 ' A' ' 66' ' ' ILE . 19.4 m -61.98 -47.92 82.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.201 -179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -64.1 -34.32 77.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.5 p -68.36 -28.32 67.02 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.255 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.632 HD23 ' HB3' ' B' ' 42' ' ' SER . 83.3 mt -72.52 -36.01 68.22 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.289 174.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 62' ' ' SER . 23.7 mm -61.04 -39.12 81.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -59.46 -42.95 93.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.921 175.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 72' ' ' ARG . . . -62.55 -42.09 99.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.737 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 65' ' ' LEU . 87.2 t -56.49 -51.05 69.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.243 175.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -57.59 -47.99 80.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.93 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.8 m -62.63 -42.71 99.75 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 68' ' ' ALA . 57.0 mtp180 -65.04 -44.01 90.47 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.198 -177.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.46 -43.71 31.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.875 0.369 . . . . 0.0 110.919 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.724 -176.27 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.535 ' HB3' ' HB3' ' B' ' 11' ' ' GLN . 44.8 t . . . . . 0 N--CA 1.444 -0.773 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -67.13 -12.46 60.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.79 -49.18 9.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.038 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.535 ' HB3' ' HB3' ' B' ' 8' ' ' SER . 7.2 tp60 -59.2 -43.61 92.26 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.446 174.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.599 ' O ' HG21 ' B' ' 16' ' ' VAL . 60.3 tp -57.06 -57.14 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.974 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 71.2 p -56.69 -36.48 69.67 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.19 0.306 . . . . 0.0 111.533 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.04 98.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.765 0.317 . . . . 0.0 110.516 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.465 HD12 ' HB1' ' A' ' 28' ' ' ALA . 74.8 mt -67.26 -38.99 82.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.812 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.599 HG21 ' O ' ' B' ' 12' ' ' LEU . 2.5 t -67.86 -35.13 71.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.128 0.49 . . . . 0.0 109.754 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -68.94 -31.81 70.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.607 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -58.78 -43.61 90.5 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.446 ' HE1' HD21 ' A' ' 37' ' ' LEU . 82.2 mtp -57.53 -47.02 83.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.675 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.66 -45.64 98.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.345 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -60.61 -54.61 43.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.458 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 32.3 m -64.52 -30.01 48.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.099 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.14 -44.05 85.28 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -71.78 -17.51 62.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.45 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 34.0 mmtp -84.7 -16.15 42.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 0.0 111.068 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -101.12 -32.99 10.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.159 177.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.21 80.07 0.19 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.166 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.48 138.52 19.91 Favored Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -73.28 42.92 0.68 Allowed 'Trans proline' 0 N--CA 1.477 0.504 0 C-N-CA 123.282 2.655 . . . . 0.0 113.804 -173.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t 71.61 -47.0 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.526 0.731 . . . . 0.0 111.585 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.535 ' O ' HG13 ' B' ' 35' ' ' ILE . 36.4 m-20 -51.07 -66.24 0.42 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.062 0.458 . . . . 0.0 110.86 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.8 -31.25 71.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.277 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -61.76 -45.44 93.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.171 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.78 -40.2 76.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.95 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.535 HG13 ' O ' ' B' ' 31' ' ' ASP . 59.3 mt -63.71 -44.39 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.013 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.88 86.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.721 0.296 . . . . 0.0 110.737 177.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.29 -40.23 95.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.421 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.06 -48.11 83.01 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.544 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.24 -46.8 87.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.626 0.251 . . . . 0.0 110.758 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.623 ' HE3' HD13 ' B' ' 44' ' ' LEU . 13.6 tpt -63.74 -47.91 79.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.77 -52.1 66.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.499 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.632 ' HB3' HD23 ' A' ' 65' ' ' LEU . 24.0 p -63.55 -44.57 93.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.135 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -55.42 -50.85 68.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.623 HD13 ' HE3' ' B' ' 40' ' ' MET . 68.2 mt -63.8 -42.65 97.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.259 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.85 -13.28 61.25 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 21.1 p -112.66 10.44 19.4 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.456 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 19.0 m -136.81 -41.54 0.6 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.4 m -89.17 -35.69 16.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -171.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' B' ' 54' ' ' CYS . 15.6 m -109.7 160.11 29.14 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.172 -176.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.517 ' HG2' ' HB2' ' B' ' 53' ' ' GLN . 6.6 Cg_endo -49.94 128.16 21.17 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.542 2.828 . . . . 0.0 112.518 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.565 ' HG3' HG23 ' B' ' 52' ' ' THR . 24.7 pt20 -61.66 -25.19 67.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -170.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' THR . . . . . 0.565 HG23 ' HG3' ' B' ' 51' ' ' GLN . 41.0 p -100.11 -19.82 16.3 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.534 0.683 . . . . 0.0 111.219 -176.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.517 ' HB2' ' HG2' ' B' ' 50' ' ' PRO . 16.5 mm100 -97.89 -10.61 24.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.538 -178.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . 0.551 ' HB3' HG21 ' B' ' 49' ' ' VAL . 29.4 p -80.08 -37.75 33.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.185 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.58 -40.45 94.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.135 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.09 83.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.843 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.37 -35.32 73.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.295 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.71 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.067 0.461 . . . . 0.0 110.582 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -71.01 -37.69 72.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.06 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.87 -34.38 73.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 110.636 176.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.87 -47.02 87.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.484 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.621 ' O ' HG12 ' B' ' 66' ' ' ILE . 0.7 OUTLIER -64.49 -44.5 90.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.56 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -51.15 -48.47 61.85 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.004 0.431 . . . . 0.0 110.282 174.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -60.26 -36.71 78.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.852 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.451 ' O ' HG23 ' B' ' 69' ' ' VAL . 88.3 mt -64.53 -46.68 81.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.746 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.621 HG12 ' O ' ' B' ' 62' ' ' SER . 6.1 mm -60.49 -42.01 89.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.427 0.632 . . . . 0.0 109.699 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -68.36 -40.22 81.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.896 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.55 92.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.98 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 65' ' ' LEU . 74.8 t -59.62 -46.97 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.774 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.04 -33.62 76.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.5 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 26.3 m -76.41 -29.3 57.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.08 0.467 . . . . 0.0 110.739 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' B' ' 72' ' ' ARG . 3.6 tpm_? -65.98 -50.97 62.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.626 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.84 178.686 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.445 -0.7 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -65.34 -20.5 66.42 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.73 -38.76 67.34 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.265 175.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.503 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.5 tp-100 -68.99 -45.05 71.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.113 176.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.9 tm? -54.64 -52.5 62.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.269 177.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.8 m -57.56 -41.85 81.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.195 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.08 -36.12 80.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.085 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 11' ' ' GLN . 80.5 mt -69.65 -50.96 45.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.2 t -65.1 -41.21 91.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.916 0.388 . . . . 0.0 110.502 -176.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -68.25 -29.78 68.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.243 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.688 ' O ' HG23 ' A' ' 22' ' ' VAL . 18.8 t0 -68.91 -49.5 57.59 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.0 mtt -50.74 -50.59 55.22 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.013 0.435 . . . . 0.0 110.787 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.13 -47.05 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' O ' ' HE2' ' A' ' 25' ' ' LYS . . . -63.27 -46.01 88.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.606 0.241 . . . . 0.0 111.418 -177.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 18' ' ' ASP . 49.1 t -62.75 -42.57 96.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.857 0.36 . . . . 0.0 110.22 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 tp -63.96 -43.42 95.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.078 0.466 . . . . 0.0 110.116 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -59.76 -37.28 78.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.135 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HE2' ' O ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -71.27 -13.64 61.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.707 -177.327 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -101.5 -31.31 10.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 171.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt 65.5 93.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.246 -174.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -102.65 139.33 20.08 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.067 177.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.528 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 17.3 Cg_exo -66.66 152.78 79.97 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.641 2.227 . . . . 0.0 111.347 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 39.2 t -57.87 -31.43 40.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 123.515 0.509 . . . . 0.0 111.342 -175.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.557 ' O ' HG13 ' A' ' 35' ' ' ILE . 35.3 t70 -74.03 -49.96 21.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.028 0.442 . . . . 0.0 110.324 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.528 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 74.2 mt -68.52 -35.65 77.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.864 -177.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.8 p -62.87 -39.83 95.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 0.0 110.613 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 84.8 mt -66.79 -36.39 82.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 31' ' ' ASP . 51.4 mt -67.8 -47.0 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.636 0.255 . . . . 0.0 110.412 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.473 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -58.15 -46.46 85.63 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.463 177.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.59 -41.25 88.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.594 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.88 -50.39 66.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.407 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -60.66 -40.21 91.21 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.895 0.379 . . . . 0.0 110.6 178.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -69.26 -48.03 62.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -178.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.92 -48.34 80.18 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 m -58.52 -47.73 83.19 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.959 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -60.47 -49.04 79.17 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.245 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.74 -34.9 78.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 111.238 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.474 ' HA ' HG13 ' A' ' 49' ' ' VAL . 89.5 mt -76.69 -14.12 59.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.329 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.7 p -104.04 -5.19 22.38 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.25 -0.58 . . . . 0.0 112.342 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.3 p -130.41 -39.1 1.33 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.2 m -92.11 -42.34 9.98 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.205 -0.31 . . . . 0.0 111.834 -169.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.474 HG13 ' HA ' ' A' ' 45' ' ' LEU . 8.9 p -85.13 139.34 36.63 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 175.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -37.04 105.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.69 2.927 . . . . 0.0 113.532 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.518 ' HA ' ' HB2' ' A' ' 54' ' ' CYS . 4.4 pt20 -72.92 -13.2 61.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.998 -173.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.471 HG23 ' HG3' ' A' ' 53' ' ' GLN . 10.5 t -71.58 -9.72 58.66 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.439 0.638 . . . . 0.0 110.078 175.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.471 ' HG3' HG23 ' A' ' 52' ' ' THR . 25.6 mt-30 -136.23 23.34 3.24 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.518 ' HB2' ' HA ' ' A' ' 51' ' ' GLN . 53.1 t -50.93 -55.43 17.24 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.009 -173.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -59.74 -45.31 92.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 111.058 -176.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.18 -49.44 74.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.157 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.8 mt -70.79 -38.62 73.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.586 -174.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.76 98.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.21 0.528 . . . . 0.0 111.037 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -76.09 -30.08 58.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.971 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.45 -48.69 74.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.269 174.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -54.78 -45.56 74.29 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.046 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.632 ' O ' HG12 ' A' ' 66' ' ' ILE . 55.9 m -57.79 -57.76 11.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.088 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -58.2 -42.94 87.24 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.2 m -70.01 -30.17 67.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.832 0.348 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.7 tp -67.93 -39.33 83.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.134 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.632 HG12 ' O ' ' A' ' 62' ' ' SER . 26.4 mm -58.59 -49.1 83.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.032 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -63.61 -35.3 80.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.768 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.5 92.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.59 177.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.4 t -62.5 -45.33 99.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.784 177.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 66' ' ' ILE . 30.7 mtpp -58.58 -46.06 87.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.713 178.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.1 m -66.88 -31.66 72.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.068 0.461 . . . . 0.0 111.092 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -58.0 -45.94 86.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.964 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 tt -89.66 -51.09 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.664 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 120.919 0.39 . . . . 0.0 111.662 -168.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.58 -29.51 66.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.28 -35.76 71.44 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.077 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -75.83 -41.65 51.96 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.195 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.681 ' O ' HG21 ' B' ' 16' ' ' VAL . 50.5 tp -59.29 -56.69 18.88 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.277 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 42.0 m -56.23 -36.45 68.49 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.885 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.39 -46.04 83.88 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.869 0.366 . . . . 0.0 110.847 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 71.9 mt -70.01 -48.71 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.052 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.681 HG21 ' O ' ' B' ' 12' ' ' LEU . 2.6 t -63.45 -44.51 98.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.715 -177.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -64.56 -38.85 92.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.911 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.788 ' O ' HG21 ' B' ' 22' ' ' VAL . 30.3 t70 -65.43 -47.19 77.06 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 51.4 tpp -54.57 -42.1 70.63 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.415 0.447 . . . . 0.0 110.839 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.63 -46.11 95.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.585 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.49 90.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.788 HG21 ' O ' ' B' ' 18' ' ' ASP . 46.3 t -64.88 -41.4 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.133 0.492 . . . . 0.0 110.02 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 66.9 tp -62.63 -35.99 81.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.601 176.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -75.69 -30.86 59.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.714 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 tppp? -62.82 -48.82 77.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.906 177.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -79.07 -25.72 43.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.257 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.448 ' HE2' ' HB2' ' B' ' 27' ' ' LYS . 18.1 ttmm 57.51 81.87 0.13 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.689 -1.142 . . . . 0.0 111.647 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.23 134.53 20.28 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.08 175.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -68.77 160.74 48.36 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.19 1.927 . . . . 0.0 111.374 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 p -57.1 -26.4 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 120.834 0.35 . . . . 0.0 110.865 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.18 -68.61 0.26 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.708 0.766 . . . . 0.0 110.28 176.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.38 -32.05 69.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.353 -175.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 31.5 t -64.48 -36.07 82.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.649 0.261 . . . . 0.0 110.482 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 tp -67.84 -43.11 80.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.984 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.67 -43.57 98.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.634 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.471 ' HA ' HG21 ' A' ' 16' ' ' VAL . . . -57.11 -51.42 69.38 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.014 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.13 -37.4 85.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.598 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.63 -46.96 93.14 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.26 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.46 -43.98 72.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.67 0.272 . . . . 0.0 110.455 178.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 26.8 ttt -58.99 -47.31 85.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.948 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.23 90.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -62.75 -50.93 69.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.692 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.531 ' O ' HG21 ' B' ' 47' ' ' THR . 5.3 m-20 -55.2 -42.25 73.03 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.382 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.79 -52.83 39.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.761 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.632 HD13 ' HA ' ' B' ' 58' ' ' ALA . 96.0 mt -68.74 -5.68 21.97 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -174.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 12.5 p -103.47 -12.1 17.37 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.531 HG21 ' O ' ' B' ' 43' ' ' ASN . 11.3 t -137.95 -19.91 1.14 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -175.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 93.5 p -91.49 -3.25 56.76 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 118.475 0.58 . . . . 0.0 110.862 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.671 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 34.9 m -128.75 178.54 1.62 Allowed Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.16 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.671 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 72.4 Cg_exo -50.32 111.44 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 121.938 1.758 . . . . 0.0 111.321 171.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -64.74 -29.94 70.94 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -171.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 10.0 t -81.02 -6.9 59.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.226 0.536 . . . . 0.0 110.115 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.651 ' HB2' ' HB2' ' B' ' 50' ' ' PRO . 27.6 mt-30 -119.37 20.19 12.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.913 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 p -53.89 -46.3 71.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.864 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.24 -26.39 62.89 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.895 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.65 -42.97 63.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.866 0.365 . . . . 0.0 110.338 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.495 ' HG ' ' HB ' ' B' ' 49' ' ' VAL . 4.4 mm? -66.78 -32.5 73.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.279 176.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.632 ' HA ' HD13 ' B' ' 45' ' ' LEU . . . -62.86 -43.98 97.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.437 175.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -63.08 -40.62 98.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.454 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.11 -44.31 96.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.642 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -63.89 -41.37 97.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.878 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.666 ' O ' HG12 ' B' ' 66' ' ' ILE . 47.8 t -57.31 -56.52 20.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.727 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -55.48 -37.44 67.81 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.444 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 29.5 m -64.21 -40.92 97.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.396 177.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.73 -40.93 84.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.666 HG12 ' O ' ' B' ' 62' ' ' SER . 27.7 mm -57.63 -45.55 86.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.075 0.464 . . . . 0.0 110.057 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . 0.518 ' HA ' ' HE2' ' B' ' 70' ' ' LYS . 34.4 m-80 -69.09 -34.8 75.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.144 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.09 -51.97 53.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.847 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.49 -44.09 88.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.544 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' B' ' 67' ' ' ASN . 37.6 ttpt -56.43 -51.65 67.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.165 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 15.2 m -73.09 -25.97 61.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.854 0.359 . . . . 0.0 111.486 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.89 -42.78 76.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 54.2 tp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.19 -176.498 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.504 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 28.5 t . . . . . 0 N--CA 1.446 -0.658 0 CA-C-O 120.651 0.262 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -66.14 -23.82 66.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.17 -32.51 29.93 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.579 178.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.504 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 58.2 tt0 -68.36 -41.45 80.63 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.303 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.7 tp -54.1 -56.32 19.24 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.912 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.499 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 4.4 p -74.29 -21.31 59.8 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 120.338 -0.545 . . . . 0.0 112.176 -174.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.76 85.76 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 171.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.1 mt -70.58 -54.69 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.428 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 20' ' ' ILE . 7.8 p -70.48 -31.94 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.477 -0.489 . . . . 0.0 112.136 -174.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.499 ' HB3' ' O ' ' A' ' 13' ' ' SER . 7.5 t30 -75.53 -29.79 59.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.135 -0.353 . . . . 0.0 110.319 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.743 ' O ' HG21 ' A' ' 22' ' ' VAL . 37.5 t70 -71.98 -39.52 69.23 Favored 'General case' 0 C--O 1.214 -0.803 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 173.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.3 ttm -54.01 -44.94 71.35 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.725 0.64 . . . . 0.0 111.06 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 16' ' ' VAL . 73.5 mt -62.51 -39.28 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.298 176.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 25' ' ' LYS . . . -65.55 -36.62 84.33 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.673 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.743 HG21 ' O ' ' A' ' 18' ' ' ASP . 44.4 t -63.91 -38.0 81.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.014 0.435 . . . . 0.0 110.434 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 tt -60.15 -50.08 75.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.862 176.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.52 -17.27 61.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.398 0.618 . . . . 0.0 110.756 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 23.4 tptp -77.54 -37.46 50.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.663 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -84.61 -18.24 36.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.574 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm 62.97 37.81 11.56 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.732 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.52 142.06 23.96 Favored Pre-proline 0 N--CA 1.446 -0.659 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.81 158.25 51.91 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.249 1.966 . . . . 0.0 112.018 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.522 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 12.7 p -55.35 -26.77 19.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.033 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 35' ' ' ILE . 4.1 m-20 -63.54 -66.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.319 0.58 . . . . 0.0 110.549 178.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.51 -38.79 87.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.288 -173.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.9 m -69.14 -27.75 65.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.981 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 4.2 tt -74.17 -35.96 64.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 31' ' ' ASP . 57.6 mt -61.08 -37.77 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.244 176.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.456 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.24 -44.42 95.26 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.137 0.494 . . . . 0.0 110.294 175.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.96 -43.15 95.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.285 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.34 -42.93 99.7 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.476 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -58.81 -44.1 90.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.853 0.359 . . . . 0.0 110.671 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.884 ' HE2' HD11 ' B' ' 23' ' ' LEU . 26.8 ttt -73.81 -39.99 63.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -177.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.59 -49.35 77.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.29 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 p -64.72 -43.37 93.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.087 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -57.17 -46.25 82.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.44 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.448 HD11 ' HE1' ' A' ' 40' ' ' MET . 66.9 mt -71.3 -42.66 68.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.663 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.464 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 88.6 mt -72.94 -11.97 60.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.84 -174.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.499 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 16.8 p -98.37 -22.33 16.13 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.366 177.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.8 p -97.31 -49.59 4.88 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -103.58 23.89 11.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.766 0.317 . . . . 0.0 111.148 -172.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 5.9 p -76.89 116.11 54.19 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.014 0.435 . . . . 0.0 111.334 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.55 ' HD2' ' HB2' ' A' ' 54' ' ' CYS . 16.7 Cg_exo -67.85 -23.83 40.95 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.57 2.18 . . . . 0.0 111.858 176.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 70.83 -57.13 0.6 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.232 1.013 . . . . 0.0 112.029 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 p -42.11 -54.09 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 124.172 0.92 . . . . 0.0 112.908 -171.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -115.34 -13.39 11.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.33 0.586 . . . . 0.0 110.365 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.55 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 41.9 t -70.64 -36.2 73.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.517 -173.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.75 -41.49 95.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.169 0.509 . . . . 0.0 109.817 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.69 -52.68 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.846 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' HA ' HD11 ' A' ' 57' ' ' LEU . 4.3 mm? -62.85 -32.7 73.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.57 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.16 -49.98 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.945 0.402 . . . . 0.0 110.343 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.6 HE21 HG13 ' B' ' 66' ' ' ILE . 46.5 mm-40 -66.12 -33.82 76.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 177.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.13 -50.2 64.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.837 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -63.88 -38.57 91.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.116 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.59 ' O ' HG12 ' A' ' 66' ' ' ILE . 36.1 t -54.98 -57.97 9.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.212 176.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -63.4 -26.9 68.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.699 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.3 m -63.04 -42.52 99.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.77 -41.46 83.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.242 176.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 62' ' ' SER . 30.3 mm -57.02 -49.22 80.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.611 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -67.88 -30.45 69.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.59 -46.64 78.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.85 0.357 . . . . 0.0 110.22 176.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.79 -43.37 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.274 176.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.457 ' HG2' ' OE2' ' A' ' 74' ' ' GLU . 22.5 ttpp -52.34 -55.4 21.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.266 176.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.2 m -61.86 -32.62 72.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.136 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -68.05 -35.66 78.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 0.0 110.848 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 73' ' ' LEU . 4.1 mm? -83.25 -19.46 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.234 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.457 ' OE2' ' HG2' ' A' ' 70' ' ' LYS . 45.5 mt-10 . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 121.288 0.566 . . . . 0.0 110.688 175.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 120.807 0.337 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.01 -28.01 69.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.4 -32.27 60.7 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.684 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.542 ' O ' HG13 ' B' ' 15' ' ' ILE . 7.9 tp-100 -71.78 -44.54 63.82 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.638 178.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.635 ' O ' HG21 ' B' ' 16' ' ' VAL . 61.2 tp -55.09 -53.55 54.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.784 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -57.21 -41.96 80.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.985 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.17 85.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.888 0.375 . . . . 0.0 111.032 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.542 HG13 ' O ' ' B' ' 11' ' ' GLN . 80.9 mt -67.37 -51.31 53.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.194 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.635 HG21 ' O ' ' B' ' 12' ' ' LEU . 1.9 t -66.01 -41.56 89.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 110.53 -176.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -63.58 -38.76 92.34 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.591 -177.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.714 ' O ' HG21 ' B' ' 22' ' ' VAL . 30.0 t70 -70.08 -45.59 66.69 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 6.5 mmm -52.23 -46.03 65.53 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.359 0.412 . . . . 0.0 111.566 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.5 -43.87 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 0.0 110.395 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -66.33 -35.41 80.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.277 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.714 HG21 ' O ' ' B' ' 18' ' ' ASP . 67.8 t -56.87 -47.06 83.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.035 0.445 . . . . 0.0 110.534 177.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.884 HD11 ' HE2' ' A' ' 40' ' ' MET . 61.1 mt -77.42 -28.84 52.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.126 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.64 -36.56 81.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.074 0.464 . . . . 0.0 110.732 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 58.7 mttp -63.19 -30.94 71.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.927 -178.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -102.38 -11.35 18.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.791 0.329 . . . . 0.0 110.527 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt 62.91 96.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.277 -174.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.481 ' HB3' ' HB2' ' B' ' 33' ' ' SER . . . -90.56 109.09 31.68 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 172.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.54 36.62 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.13 2.553 . . . . 0.0 113.656 -173.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 90.8 t 73.52 -50.9 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 123.215 0.606 . . . . 0.0 111.472 -178.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.529 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.5 m-20 -51.91 -70.31 0.09 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.164 0.507 . . . . 0.0 110.775 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.22 -29.89 69.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.263 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.575 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 25.5 t -63.93 -54.04 40.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.403 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.08 -30.91 71.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.522 -176.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.529 HG13 ' O ' ' B' ' 31' ' ' ASP . 47.5 mt -70.51 -49.1 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.133 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.443 ' HB1' ' HB ' ' A' ' 16' ' ' VAL . . . -55.06 -50.14 69.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.633 0.254 . . . . 0.0 111.147 172.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' B' ' 33' ' ' SER . 82.0 mt -59.9 -40.32 88.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.477 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.65 -46.03 86.14 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.158 177.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -52.59 -50.15 63.59 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.127 0.489 . . . . 0.0 110.123 175.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.614 ' HE3' HD11 ' B' ' 44' ' ' LEU . 12.9 tpt -65.02 -49.93 68.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.141 -179.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.09 -46.66 85.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.383 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.5 m -56.88 -51.76 67.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.881 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -62.53 -40.34 96.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.732 -176.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.614 HD11 ' HE3' ' B' ' 40' ' ' MET . 54.6 mt -67.65 -50.69 56.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.576 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.54 -15.22 63.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.755 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.0 p -101.13 -4.76 26.7 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.914 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 27.2 m -118.22 -39.12 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.739 0.304 . . . . 0.0 111.466 -177.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -93.23 17.66 10.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.995 0.426 . . . . 0.0 110.954 -176.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.851 HG22 ' HB3' ' B' ' 54' ' ' CYS . 4.2 p -92.51 115.13 64.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -178.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' B' ' 49' ' ' VAL . 22.3 Cg_endo -64.82 -54.48 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.266 1.977 . . . . 0.0 110.742 173.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -179.75 -87.12 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.754 172.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 38.5 m -87.21 -32.69 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.93 -171.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -55.47 -45.73 76.92 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.273 0.558 . . . . 0.0 110.242 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . 0.851 ' HB3' HG22 ' B' ' 49' ' ' VAL . 47.7 t -79.8 -34.45 39.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.147 -178.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.08 -55.3 36.76 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.914 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.42 69.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.302 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.88 -34.78 78.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.716 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.9 -50.43 72.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.696 0.284 . . . . 0.0 110.655 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.88 -47.58 84.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.71 76.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.529 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.532 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 73.7 t80 -62.73 -43.49 98.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.799 -178.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.407 ' O ' HG12 ' B' ' 66' ' ' ILE . 25.0 t -61.32 -48.61 80.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.702 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -65.6 -33.47 75.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 6.0 t -65.28 -32.23 73.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.987 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 86.6 mt -66.88 -39.53 87.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.165 176.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.6 HG13 HE21 ' A' ' 59' ' ' GLN . 7.8 mm -62.05 -41.12 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 177.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -65.02 -39.38 93.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.675 176.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.95 98.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.43 HG22 ' O ' ' B' ' 65' ' ' LEU . 87.9 t -58.7 -47.36 89.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.074 0.464 . . . . 0.0 110.045 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -59.32 -44.07 92.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.731 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 23.6 m -69.91 -33.57 72.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.668 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.499 ' HD3' ' O ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -76.77 -34.04 58.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.342 -178.535 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 9.3 tt . . . . . 0 C--O 1.235 0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.116 178.914 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.776 ' HB2' ' HB2' ' A' ' 11' ' ' GLN . 21.8 m . . . . . 0 N--CA 1.441 -0.886 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.56 -30.38 60.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.283 0.563 . . . . 0.0 109.61 177.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.75 -33.66 46.34 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.258 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.776 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 0.0 OUTLIER -70.45 -47.71 59.35 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.64 ' O ' HG22 ' A' ' 16' ' ' VAL . 64.5 tp -57.59 -50.86 71.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.69 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.7 m -55.3 -41.36 72.24 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.349 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.31 92.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.902 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.98 -46.06 85.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 12' ' ' LEU . 2.6 t -63.92 -43.27 97.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.017 0.437 . . . . 0.0 110.151 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -67.78 -22.9 65.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.062 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.766 ' O ' HG22 ' A' ' 22' ' ' VAL . 28.9 t70 -75.01 -44.12 49.84 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.22 -37.61 75.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.848 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.6 mt -66.93 -40.57 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.411 . . . . 0.0 110.134 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.59 84.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.362 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.839 HG21 HG21 ' B' ' 22' ' ' VAL . 60.1 t -58.84 -48.32 86.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.101 174.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.679 ' HG ' ' HB1' ' A' ' 28' ' ' ALA . 8.6 tt -55.69 -46.69 77.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.821 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -72.41 -37.67 68.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.954 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -63.08 -48.4 78.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.091 -179.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -89.25 10.63 21.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.669 -176.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HZ2' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER 57.27 58.91 3.61 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.675 174.71 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.679 ' HB1' ' HG ' ' A' ' 23' ' ' LEU . . . -97.53 113.0 62.79 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.173 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.62 163.47 37.32 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.278 1.986 . . . . 0.0 110.879 174.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.1 m -55.9 -30.85 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 120.575 0.226 . . . . 0.0 111.593 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' O ' HG13 ' A' ' 35' ' ' ILE . 3.5 m-20 -60.21 -64.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.409 0.623 . . . . 0.0 110.686 176.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.24 -32.46 66.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.191 -173.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.6 p -66.82 -36.52 82.56 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.436 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.8 -42.22 90.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.804 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 31' ' ' ASP . 55.5 mt -66.28 -38.35 81.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.611 177.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.476 ' CB ' HG21 ' B' ' 16' ' ' VAL . . . -60.8 -48.36 82.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.57 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.09 -39.55 92.82 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.332 177.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.86 -45.05 93.7 Favored Glycine 0 C--O 1.236 0.239 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.52 177.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -59.68 -46.34 89.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 110.403 177.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.403 ' HE1' HD21 ' A' ' 44' ' ' LEU . 12.7 tpt -70.99 -34.65 71.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.066 -178.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.432 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.12 -57.18 13.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.777 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 p -62.42 -37.58 86.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.661 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -56.99 -52.52 64.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.852 176.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.403 HD21 ' HE1' ' A' ' 40' ' ' MET . 60.2 mt -67.7 -38.27 83.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.724 -178.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.439 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 91.4 mt -64.89 -23.76 67.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.295 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.5 p -101.54 11.02 39.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.873 0.368 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.9 m -127.06 -51.21 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.0 t -92.63 -60.02 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -170.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.7 m -69.65 153.23 95.83 Favored Pre-proline 0 C--N 1.327 -0.373 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.181 -175.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.88 119.32 5.85 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.971 2.447 . . . . 0.0 111.716 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.22 -25.77 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.03 -173.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.0 m -77.82 -11.5 59.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.379 0.609 . . . . 0.0 110.823 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.534 ' HG2' ' HG ' ' A' ' 57' ' ' LEU . 55.1 tt0 -124.96 10.95 8.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.452 0.644 . . . . 0.0 109.431 -178.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 48.2 t -61.74 -61.07 2.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.821 -173.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -19.7 64.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.72 0.295 . . . . 0.0 111.475 -176.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.43 -52.31 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.959 0.409 . . . . 0.0 110.118 174.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.534 ' HG ' ' HG2' ' A' ' 53' ' ' GLN . 93.5 mt -64.99 -34.04 77.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.81 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.3 -45.98 92.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.782 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.556 HE21 HG13 ' B' ' 66' ' ' ILE . 62.0 mm-40 -68.36 -35.3 77.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.24 70.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.436 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 65.1 t80 -61.63 -40.98 96.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.926 178.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.613 ' O ' HG12 ' A' ' 66' ' ' ILE . 48.1 t -54.96 -59.38 4.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.924 177.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.71 -32.66 71.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.286 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.2 m -62.12 -43.51 98.66 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 94.1 mt -63.62 -43.92 95.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.589 177.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.613 HG12 ' O ' ' A' ' 62' ' ' SER . 18.8 mm -57.72 -45.29 86.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.136 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -69.24 -35.88 76.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.153 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.49 -50.19 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.939 0.399 . . . . 0.0 110.662 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.59 -33.29 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.957 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 19.3 tptt -60.24 -37.6 80.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.86 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.4 m -83.48 -33.37 25.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.091 0.472 . . . . 0.0 110.579 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -57.88 -52.35 65.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.58 0.705 . . . . 0.0 110.039 176.485 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.9 tp -76.21 -57.14 4.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.918 177.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 N--CA 1.467 0.377 0 O-C-N 123.805 0.691 . . . . 0.0 110.745 -171.779 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.492 ' HB3' ' HB3' ' B' ' 11' ' ' GLN . 44.9 t . . . . . 0 N--CA 1.438 -1.043 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.82 -15.78 63.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.273 0.559 . . . . 0.0 109.616 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.26 -38.91 18.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.078 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.492 ' HB3' ' HB3' ' B' ' 8' ' ' SER . 51.0 tt0 -72.59 -39.09 67.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.587 176.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.634 ' O ' HG23 ' B' ' 16' ' ' VAL . 57.7 tp -57.31 -57.52 12.26 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.572 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 8.4 p -56.73 -40.97 76.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.049 -177.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' B' ' 18' ' ' ASP . . . -60.28 -34.98 74.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.299 176.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 11' ' ' GLN . 98.5 mt -74.56 -48.63 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.992 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.4 t -62.28 -44.19 98.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.34 0.591 . . . . 0.0 109.657 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -64.86 -30.18 71.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.679 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' B' ' 14' ' ' ALA . 3.6 t70 -66.82 -44.81 80.19 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.474 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 66.5 mtt -60.29 -42.56 95.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.546 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 16' ' ' VAL . 69.5 mt -61.87 -48.54 88.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.077 0.465 . . . . 0.0 110.383 176.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.69 97.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.875 -177.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.839 HG21 HG21 ' A' ' 22' ' ' VAL . 32.9 m -72.24 -28.94 30.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.941 -0.303 . . . . 0.0 111.177 -179.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 19' ' ' MET . 66.9 mt -71.17 -35.32 71.58 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 176.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -81.0 -21.27 40.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.956 0.408 . . . . 0.0 110.773 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -68.61 -41.3 79.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.185 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . 0.473 ' HD2' ' HB1' ' B' ' 28' ' ' ALA . 70.3 t60 -88.68 -18.98 26.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 171.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 pttp 40.51 80.09 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.533 -1.212 . . . . 0.0 112.771 -175.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.473 ' HB1' ' HD2' ' B' ' 26' ' ' HIS . . . -104.53 156.75 35.42 Favored Pre-proline 0 N--CA 1.447 -0.583 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.703 174.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.557 ' HB2' ' OD1' ' B' ' 31' ' ' ASP . 53.0 Cg_endo -69.7 159.12 54.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.566 1.51 . . . . 0.0 111.181 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 t -59.72 -27.61 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.415 -175.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.557 ' OD1' ' HB2' ' B' ' 29' ' ' PRO . 3.5 p-10 -65.02 -60.86 2.58 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.844 -177.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.88 -43.76 94.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.739 0.304 . . . . 0.0 111.434 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -65.51 -31.63 72.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 -176.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 16.0 tp -77.46 -35.08 54.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.758 0.313 . . . . 0.0 110.231 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.544 HG13 ' O ' ' B' ' 31' ' ' ASP . 80.1 mt -64.73 -37.71 80.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 120.936 0.398 . . . . 0.0 110.152 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.495 ' HA ' HG23 ' A' ' 16' ' ' VAL . . . -61.51 -47.75 84.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.209 174.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.14 -40.24 89.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.982 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.2 -47.5 89.31 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.448 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -62.23 -41.39 98.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.603 0.24 . . . . 0.0 110.958 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.6 ttt -67.87 -41.02 83.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.882 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.55 -51.41 68.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.107 0.479 . . . . 0.0 110.061 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 16.3 m -58.86 -47.79 83.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.111 177.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -51.46 -48.98 62.61 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.604 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.66 -47.98 67.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.679 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.451 ' HG ' HG13 ' B' ' 49' ' ' VAL . 5.6 mp -77.12 -1.5 29.52 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -174.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.2 p -112.28 4.86 17.99 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.5 m -137.48 -42.29 0.55 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.6 t -125.6 29.66 5.93 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.009 -0.676 . . . . 0.0 112.533 -169.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.535 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 28.5 m -123.09 169.05 10.67 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.535 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 72.5 Cg_exo -51.39 109.87 0.36 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.37 2.046 . . . . 0.0 111.524 174.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.15 -45.07 94.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.175 -172.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 5.8 m -85.0 -6.43 59.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.133 0.492 . . . . 0.0 110.992 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.422 ' HB3' ' HB2' ' B' ' 50' ' ' PRO . 8.3 tt0 -126.06 21.22 7.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.525 0.679 . . . . 0.0 109.931 -176.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 6.1 p -63.67 -54.59 33.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.553 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.61 -34.51 71.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.95 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.5 -51.92 65.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.37 -40.27 93.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.047 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.35 69.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.288 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -68.31 -39.52 81.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.67 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.71 -53.82 50.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.994 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -61.38 -38.42 86.96 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.049 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.583 ' O ' HG12 ' B' ' 66' ' ' ILE . 39.4 t -62.24 -51.55 67.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.82 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -62.81 -40.88 98.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.966 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 64.3 p -69.96 -25.02 63.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.0 110.424 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.433 ' O ' HG22 ' B' ' 69' ' ' VAL . 28.6 tp -72.13 -37.16 69.51 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 177.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.583 HG12 ' O ' ' B' ' 62' ' ' SER . 14.2 mm -62.15 -42.21 94.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -63.28 -41.72 99.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.827 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' B' ' 72' ' ' ARG . . . -60.79 -47.03 88.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.93 177.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.433 HG22 ' O ' ' B' ' 65' ' ' LEU . 82.7 t -59.0 -43.06 88.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.892 0.377 . . . . 0.0 110.358 176.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -59.27 -43.45 92.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.57 175.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 27.5 m -66.78 -24.53 66.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.052 0.453 . . . . 0.0 111.09 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' B' ' 68' ' ' ALA . 53.9 mmt-85 -78.16 -43.13 29.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.059 0.457 . . . . 0.0 109.973 175.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 8.7 tt . . . . . 0 C--O 1.235 0.297 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.797 -177.452 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 11' ' ' GLN . 6.3 m . . . . . 0 N--CA 1.444 -0.766 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -63.69 -23.37 67.35 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.6 -34.94 40.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 109.587 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.461 ' CB ' ' HB2' ' A' ' 8' ' ' SER . 34.7 tt0 -70.54 -38.26 74.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.044 177.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 16' ' ' VAL . 62.7 tp -58.39 -55.5 34.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.361 175.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.8 m -51.78 -42.57 62.52 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.478 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.22 91.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.02 0.438 . . . . 0.0 111.282 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.6 mt -68.91 -47.67 74.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.3 t -64.17 -41.05 91.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.968 0.413 . . . . 0.0 110.283 -178.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -64.09 -33.57 76.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.435 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.725 ' O ' HG21 ' A' ' 22' ' ' VAL . 35.0 t70 -65.94 -48.19 72.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.9 mtt -55.74 -40.41 72.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.224 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 16' ' ' VAL . 77.9 mt -58.31 -45.99 89.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.966 0.412 . . . . 0.0 110.21 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.75 -44.75 84.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.511 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.725 HG21 ' O ' ' A' ' 18' ' ' ASP . 42.8 t -56.3 -46.78 81.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.137 0.494 . . . . 0.0 110.66 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.47 -39.26 90.24 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.654 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -72.89 -39.77 66.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.368 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -61.98 -46.75 87.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -176.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -80.33 -20.83 43.34 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt 62.71 84.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.341 -175.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.17 111.54 63.68 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.2 162.27 30.58 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.316 2.011 . . . . 0.0 111.583 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -48.71 -33.6 5.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 O-C-N 123.5 0.5 . . . . 0.0 111.036 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.518 ' O ' HG13 ' A' ' 35' ' ' ILE . 2.8 m-20 -55.8 -71.56 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.509 0.671 . . . . 0.0 110.894 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.8 mt -68.47 -30.22 69.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.416 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.4 t -61.0 -48.17 83.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.612 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.6 mt -68.17 -38.45 82.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.011 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 31' ' ' ASP . 45.8 mt -67.4 -38.59 81.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.826 0.346 . . . . 0.0 110.631 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.478 ' HA ' HG21 ' B' ' 16' ' ' VAL . . . -62.9 -44.72 95.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.306 175.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.629 ' HG ' HD13 ' B' ' 37' ' ' LEU . 8.0 tt -59.44 -44.4 92.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.979 177.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.32 -51.08 61.26 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.467 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -61.14 -40.19 92.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.699 0.285 . . . . 0.0 111.085 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.451 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 27.6 ttt -65.3 -51.25 61.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.0 75.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.596 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.3 p -63.83 -40.14 95.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -63.75 -36.93 85.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.725 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 40' ' ' MET . 63.7 mt -73.18 -45.3 57.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.211 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.527 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 95.0 mt -67.02 -19.39 65.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.577 -177.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -96.74 -5.03 39.61 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.127 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.1 m -106.61 -54.33 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.606 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.3 m -95.7 24.85 4.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -176.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 2.3 p -56.79 123.16 56.79 Favored Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.424 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -66.79 -84.65 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 122.719 2.28 . . . . 0.0 112.537 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -137.02 -114.09 0.17 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.2 m -101.61 -16.24 16.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.76 0.791 . . . . 0.0 110.319 -178.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -73.56 -1.7 19.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.009 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.4 p -58.36 -48.15 81.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.365 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.42 ' HB3' HG22 ' B' ' 66' ' ' ILE . 23.5 mt-10 -62.52 -47.84 82.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.952 176.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.57 -50.25 74.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.76 -175.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.6 -37.9 83.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.202 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.06 92.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.966 0.412 . . . . 0.0 110.598 178.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -66.2 -45.29 81.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.067 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.19 70.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.276 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -57.2 -51.35 69.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.682 ' O ' HG12 ' A' ' 66' ' ' ILE . 20.8 p -65.57 -52.36 52.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.072 -176.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -53.48 -47.21 69.99 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.597 0.359 . . . . 0.0 111.127 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.6 t -67.24 -33.99 76.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.3 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.577 HD13 ' HA ' ' B' ' 42' ' ' SER . 30.4 tp -65.88 -39.44 90.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.084 177.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.682 HG12 ' O ' ' A' ' 62' ' ' SER . 21.0 mm -62.91 -43.81 99.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 121.586 0.707 . . . . 0.0 109.524 176.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -65.02 -34.2 77.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.07 94.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.22 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.15 -44.04 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.21 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -58.83 -36.56 74.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.072 0.463 . . . . 0.0 110.851 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.0 m -75.8 -21.69 57.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.953 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.1 -47.25 37.55 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 73' ' ' LEU . 3.9 mm? -68.97 -37.48 78.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.817 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 121.68 0.752 . . . . 0.0 109.841 175.324 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 44.2 m . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -70.44 -16.26 62.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.162 0.506 . . . . 0.0 109.653 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.99 -45.99 75.92 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.524 172.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.49 ' O ' HG13 ' B' ' 15' ' ' ILE . 28.9 mm-40 -59.92 -46.42 89.43 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.927 174.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.697 ' O ' HG23 ' B' ' 16' ' ' VAL . 47.5 tp -55.26 -57.85 10.11 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.009 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 21.5 m -53.65 -42.03 67.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.109 -177.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.04 97.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.702 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.49 HG13 ' O ' ' B' ' 11' ' ' GLN . 85.0 mt -66.22 -47.62 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.697 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.5 t -65.74 -34.84 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.93 -43.86 82.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.264 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.545 ' O ' HG21 ' B' ' 22' ' ' VAL . 3.7 m-20 -63.96 -35.83 81.97 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.565 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.553 ' HE2' ' HE2' ' B' ' 40' ' ' MET . 93.3 mmm -56.52 -42.95 79.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.874 0.369 . . . . 0.0 110.331 175.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 49.5 mm -74.76 -41.74 47.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.13 -47.15 81.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.774 0.321 . . . . 0.0 111.261 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.545 HG21 ' O ' ' B' ' 18' ' ' ASP . 64.5 t -65.55 -32.62 59.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.315 0.579 . . . . 0.0 109.849 178.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.85 -52.4 60.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.871 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -74.61 -22.64 58.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.855 -174.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 11.8 ptmm? -71.97 -22.4 61.45 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -78.67 -27.73 45.22 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 170.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 tptt 66.53 41.75 3.05 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.682 176.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.85 146.49 31.39 Favored Pre-proline 0 N--CA 1.449 -0.524 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.79 158.41 42.65 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.285 1.99 . . . . 0.0 111.432 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 10.4 p -56.6 -24.24 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.494 -177.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.477 ' O ' HG13 ' B' ' 35' ' ' ILE . 14.4 t70 -67.04 -64.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.977 -178.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.5 tp -63.16 -39.12 93.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.992 -177.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -67.19 -31.16 71.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.046 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 7.2 tt -71.33 -33.61 69.79 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.477 HG13 ' O ' ' B' ' 31' ' ' ASP . 52.2 mt -63.19 -39.18 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.28 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.441 ' CB ' HG21 ' A' ' 16' ' ' VAL . . . -59.58 -42.75 93.21 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.515 174.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.629 HD13 ' HG ' ' A' ' 37' ' ' LEU . 61.8 tp -63.85 -40.55 96.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.568 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.83 -44.77 97.42 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.062 178.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -60.29 -42.06 94.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.982 0.42 . . . . 0.0 110.182 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.553 ' HE2' ' HE2' ' B' ' 19' ' ' MET . 47.7 ttm -61.12 -52.72 63.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.563 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.76 -50.03 71.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.095 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.577 ' HA ' HD13 ' A' ' 65' ' ' LEU . 24.0 m -56.77 -47.94 78.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.739 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -61.93 -39.65 92.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.08 -178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' B' ' 40' ' ' MET . 63.8 mt -65.75 -46.19 79.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.735 0.302 . . . . 0.0 111.235 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.485 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 6.2 mp -70.89 -18.19 62.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.137 0.494 . . . . 0.0 111.82 -177.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 24.4 p -102.05 1.35 36.33 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.048 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 92.4 m -126.62 -45.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.3 m -107.74 23.84 13.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.973 0.416 . . . . 0.0 111.091 -174.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.76 HG21 ' H ' ' B' ' 51' ' ' GLN . 8.2 p -77.34 121.61 84.77 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 121.186 0.517 . . . . 0.0 111.835 -175.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 1.011 ' HD2' ' HB2' ' B' ' 54' ' ' CYS . 11.9 Cg_exo -73.21 2.74 5.25 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.417 2.744 . . . . 0.0 112.456 174.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.76 ' H ' HG21 ' B' ' 49' ' ' VAL . 30.0 tt0 75.53 -57.51 0.58 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.044 0.938 . . . . 0.0 112.424 172.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 8.4 t -95.66 -35.09 11.72 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -171.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -87.52 -39.86 14.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.865 0.365 . . . . 0.0 111.108 -176.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . 1.011 ' HB2' ' HD2' ' B' ' 50' ' ' PRO . 46.1 t -59.54 -40.85 88.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.631 -175.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -59.28 -58.88 6.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 111.166 -177.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.85 84.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.382 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.64 -41.29 84.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.687 -175.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.53 94.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.943 0.402 . . . . 0.0 110.614 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -67.1 -40.0 86.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.437 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.1 -50.48 73.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.751 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -58.75 -46.33 87.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.375 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.702 ' O ' HG12 ' B' ' 66' ' ' ILE . 44.9 m -59.16 -53.82 54.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -38.29 83.54 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 111.243 -178.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 46.4 m -65.78 -36.46 83.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.185 0.517 . . . . 0.0 110.211 177.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.463 ' O ' HG21 ' B' ' 69' ' ' VAL . 14.9 tp -68.25 -40.74 81.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.309 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.702 HG12 ' O ' ' B' ' 62' ' ' SER . 29.5 mm -60.19 -49.06 85.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 -177.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -75.35 -20.94 58.72 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.703 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.56 80.51 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.463 HG21 ' O ' ' B' ' 65' ' ' LEU . 90.8 t -62.43 -40.48 88.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.195 174.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -54.78 -42.17 71.41 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 111.069 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 31.3 m -73.12 -41.71 63.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.895 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -29.36 65.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.956 0.408 . . . . 0.0 110.57 -178.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 42.9 tp . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.608 175.837 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.683 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 44.7 t . . . . . 0 N--CA 1.438 -1.058 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -69.44 -12.98 62.1 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.57 -36.66 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.6 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.683 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 1.0 OUTLIER -68.98 -42.4 76.59 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.624 173.188 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.606 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.1 tm? -54.47 -57.55 10.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.288 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 p -58.65 -41.3 85.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.278 -177.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.99 97.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.302 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 11' ' ' GLN . 88.9 mt -62.29 -46.59 96.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.689 0.28 . . . . 0.0 110.827 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.5 t -70.01 -41.36 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -61.62 -46.91 87.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.169 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.691 ' O ' HG21 ' A' ' 22' ' ' VAL . 10.4 t70 -66.7 -39.84 88.22 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 50.0 tpp -61.89 -34.58 76.3 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.849 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 16' ' ' VAL . 84.2 mt -58.31 -46.88 88.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.188 0.518 . . . . 0.0 109.655 173.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' A' ' 25' ' ' LYS . . . -65.7 -39.57 91.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.747 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.691 HG21 ' O ' ' A' ' 18' ' ' ASP . 53.8 t -59.97 -44.35 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 121.238 0.542 . . . . 0.0 110.343 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.1 tp -65.27 -38.08 89.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.402 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HG3' ' HE2' ' A' ' 27' ' ' LYS . 38.6 tt0 -67.53 -25.99 66.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.961 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 73.7 mmtt -70.38 -26.2 63.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.389 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -105.81 -32.29 8.45 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.979 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' HE2' ' HG3' ' A' ' 24' ' ' GLU . 28.3 mmtp 60.42 81.01 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.975 0.797 . . . . 0.0 111.519 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' C ' ' H ' ' A' ' 30' ' ' VAL . . . -75.24 135.38 73.04 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.749 175.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.02 36.06 0.32 Allowed 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 123.073 2.515 . . . . 0.0 113.43 -176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.405 ' H ' ' C ' ' A' ' 28' ' ' ALA . 95.5 t 70.93 -55.4 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 123.751 0.82 . . . . 0.0 111.019 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.651 ' O ' HG12 ' A' ' 35' ' ' ILE . 12.4 m-20 -54.03 -64.49 0.81 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.165 -177.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.589 HD22 ' HB2' ' B' ' 12' ' ' LEU . 85.0 mt -60.43 -28.16 68.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.584 -175.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -67.94 -36.13 79.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.112 0.482 . . . . 0.0 109.851 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -79.06 -32.1 44.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.953 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.651 HG12 ' O ' ' A' ' 31' ' ' ASP . 8.1 mm -69.77 -47.56 69.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -53.49 17.46 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.952 171.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.27 -43.2 99.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.445 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.69 -50.23 69.38 Favored Glycine 0 C--O 1.236 0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.569 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.07 -40.42 90.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.94 0.4 . . . . 0.0 110.209 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 41.7 ttm -60.09 -48.69 80.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.748 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.25 -55.66 22.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.5 m -59.32 -48.79 80.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.123 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -63.01 -45.44 92.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.137 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.5 mt -70.93 -37.42 72.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.565 0.222 . . . . 0.0 111.523 -178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 ' HA ' HG22 ' A' ' 49' ' ' VAL . 80.9 mt -69.18 -21.25 63.99 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.972 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.444 HG22 ' HG3' ' B' ' 72' ' ' ARG . 23.4 p -100.52 7.11 44.31 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.409 -0.516 . . . . 0.0 112.244 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.2 p -137.06 -45.87 0.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.4 m -94.89 -43.2 8.3 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -167.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 45' ' ' LEU . 13.3 m -84.87 157.07 60.76 Favored Pre-proline 0 C--N 1.323 -0.558 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.069 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.41 114.77 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.654 2.236 . . . . 0.0 111.876 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.421 ' HA ' ' HB2' ' A' ' 54' ' ' CYS . 3.1 pt20 -66.74 -20.37 65.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.231 -176.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.473 HG22 ' HG3' ' A' ' 53' ' ' GLN . 12.9 t -77.78 -5.17 49.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.163 0.506 . . . . 0.0 110.461 176.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.485 ' HB3' HD11 ' A' ' 57' ' ' LEU . 24.1 mt-30 -131.15 15.82 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.972 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.421 ' HB2' ' HA ' ' A' ' 51' ' ' GLN . 48.7 t -63.17 -48.98 76.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.696 -174.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -35.81 69.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.838 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.03 -53.33 58.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.992 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.485 HD11 ' HB3' ' A' ' 53' ' ' GLN . 10.1 mp -67.33 -37.43 83.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.56 -51.4 69.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.898 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -66.71 -41.62 87.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.35 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.18 -48.09 82.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.372 . . . . 0.0 110.597 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.25 -44.83 94.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.368 177.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.631 ' O ' HG12 ' A' ' 66' ' ' ILE . 49.3 m -59.51 -58.14 9.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.389 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -59.63 -30.46 68.72 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.985 -175.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.6 m -65.91 -41.7 91.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.793 0.33 . . . . 0.0 110.265 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.68 -43.55 79.89 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.272 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.631 HG12 ' O ' ' A' ' 62' ' ' SER . 28.9 mm -53.88 -47.03 64.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.87 177.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.94 -50.34 74.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.877 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.52 -47.6 83.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.756 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.4 t -67.4 -41.43 86.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.101 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -70.08 -35.7 74.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.693 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 60.9 m -75.18 -20.85 59.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.463 . . . . 0.0 110.565 176.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -71.88 -44.41 63.81 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.6 tp -63.39 -58.14 8.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.765 176.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 71' ' ' THR . 38.7 tt0 . . . . . 0 N--CA 1.473 0.689 0 O-C-N 124.484 1.115 . . . . 0.0 113.701 170.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.679 ' HB2' ' HB3' ' B' ' 11' ' ' GLN . 20.1 m . . . . . 0 N--CA 1.44 -0.962 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -61.03 -24.36 66.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.146 0.498 . . . . 0.0 110.236 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.88 -39.0 44.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.033 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.679 ' HB3' ' HB2' ' B' ' 8' ' ' SER . 7.6 tt0 -71.14 -41.81 69.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.917 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.608 ' CD1' ' HB ' ' A' ' 35' ' ' ILE . 23.4 tp -54.01 -56.2 20.16 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.071 177.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' B' ' 17' ' ' ASN . 23.7 p -77.15 -14.7 59.75 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.97 -172.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.82 76.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.177 0.513 . . . . 0.0 109.63 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mt -67.68 -48.76 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.902 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.428 HG13 ' HA ' ' B' ' 13' ' ' SER . 9.8 p -72.49 -20.89 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.682 -178.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . 0.503 ' HB2' ' O ' ' B' ' 13' ' ' SER . 46.4 t-20 -61.34 -53.38 57.43 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 173.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.563 ' O ' HG21 ' B' ' 22' ' ' VAL . 4.4 m-20 -55.77 -52.78 62.76 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.621 175.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.418 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 62.2 mtt -49.02 -55.62 11.46 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.877 -177.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 68.2 mt -67.05 -43.45 88.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.732 0.301 . . . . 0.0 111.226 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.16 -34.28 77.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.613 -177.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.563 HG21 ' O ' ' B' ' 18' ' ' ASP . 70.7 t -68.6 -42.04 83.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 19' ' ' MET . 96.5 mt -61.14 -40.21 92.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.089 0.471 . . . . 0.0 109.959 175.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.2 -52.6 63.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.64 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -60.38 -34.03 73.31 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 111.32 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -75.57 -17.38 60.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 60.77 37.24 18.94 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.759 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.95 127.5 83.66 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.635 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.95 162.54 25.38 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.78 2.32 . . . . 0.0 112.024 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -60.23 -21.69 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.613 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.506 ' O ' HG13 ' B' ' 35' ' ' ILE . 11.4 m-20 -65.72 -67.03 0.47 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.22 0.533 . . . . 0.0 110.947 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 12' ' ' LEU . 87.3 mt -68.59 -30.92 69.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.947 -172.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.5 p -64.13 -45.53 88.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.679 0.276 . . . . 0.0 110.803 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.05 -36.26 82.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.166 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 31' ' ' ASP . 60.9 mt -65.27 -43.71 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.656 0.265 . . . . 0.0 110.424 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.32 -42.01 90.41 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.883 0.373 . . . . 0.0 110.681 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.49 -39.7 94.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.332 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.56 -38.75 96.89 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.178 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -45.98 90.12 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 20.9 mmt -62.49 -50.05 72.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.942 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.4 27.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.217 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.3 p -62.22 -44.29 96.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.373 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.71 -42.04 92.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.246 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -79.3 -37.71 37.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.912 0.387 . . . . 0.0 111.153 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -71.27 -14.21 62.15 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.399 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 10.9 p -97.13 -25.58 15.27 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.647 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.7 p -109.13 -36.83 5.95 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -172.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.7 m -89.06 -51.89 5.36 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -169.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.32 149.14 91.4 Favored Pre-proline 0 C--O 1.236 0.383 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.897 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.17 122.71 12.2 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.268 2.646 . . . . 0.0 112.646 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -62.37 -19.69 63.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.821 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' THR . . . . . 0.593 HG23 ' HG3' ' B' ' 53' ' ' GLN . 9.0 t -73.91 -15.15 61.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.687 0.279 . . . . 0.0 110.943 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.593 ' HG3' HG23 ' B' ' 52' ' ' THR . 28.6 mt-30 -133.14 22.79 4.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.34 -177.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 7.2 p -59.2 -49.44 77.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.906 -174.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -27.2 60.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.617 0.246 . . . . 0.0 111.619 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.86 -47.93 41.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.835 0.35 . . . . 0.0 110.778 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.86 -32.36 72.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.533 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.454 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -61.9 -42.31 98.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.094 0.473 . . . . 0.0 110.419 175.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -68.9 -38.57 79.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.804 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.32 95.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.784 0.326 . . . . 0.0 110.697 177.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.515 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 51.9 t80 -59.13 -44.31 92.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.109 175.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.696 ' O ' HG12 ' B' ' 66' ' ' ILE . 34.0 t -62.63 -59.98 4.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.838 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -54.51 -41.23 69.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.218 -173.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 61.7 p -67.48 -39.04 85.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 74.5 mt -65.79 -45.62 81.76 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.751 0.31 . . . . 0.0 110.786 177.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.696 HG12 ' O ' ' B' ' 62' ' ' SER . 5.7 mm -62.49 -40.34 87.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -69.8 -34.66 74.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.635 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.9 -46.17 91.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.271 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.0 -40.95 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.258 175.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -64.54 -31.4 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.136 177.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 11.5 m -84.9 -7.88 58.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.622 0.725 . . . . 0.0 110.438 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.614 ' NE ' ' HA ' ' B' ' 72' ' ' ARG . 4.6 mmp_? -93.59 -49.34 5.93 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.423 0.63 . . . . 0.0 110.24 173.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.492 176.71 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.437 -1.078 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -62.37 -14.9 44.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.429 0.633 . . . . 0.0 109.369 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.02 -41.61 35.18 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.112 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.485 ' O ' HG13 ' A' ' 15' ' ' ILE . 4.4 tt0 -71.2 -38.94 72.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.799 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 16' ' ' VAL . 55.4 tp -53.79 -61.73 2.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 177.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 p -56.77 -36.83 70.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.32 -177.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.49 92.95 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.819 0.342 . . . . 0.0 110.648 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 11' ' ' GLN . 84.7 mt -67.71 -49.47 69.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.79 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.6 t -63.97 -41.34 92.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.603 -175.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -62.35 -41.55 98.69 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.206 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.732 ' O ' HG23 ' A' ' 22' ' ' VAL . 36.1 t70 -66.3 -51.12 60.54 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.41 ' O ' HD21 ' A' ' 23' ' ' LEU . 40.5 ttp -51.47 -45.28 62.69 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.271 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 16' ' ' VAL . 78.8 mt -60.69 -51.02 77.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.626 0.25 . . . . 0.0 110.704 177.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.84 96.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.283 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 18' ' ' ASP . 62.8 t -59.35 -46.1 92.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.702 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.41 HD21 ' O ' ' A' ' 19' ' ' MET . 4.1 mm? -64.8 -36.51 84.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.248 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 20' ' ' ILE . 19.0 mm-40 -64.71 -41.61 95.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.013 0.435 . . . . 0.0 110.371 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 9.5 mtpm? -69.05 -33.61 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.823 178.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -77.39 -27.75 52.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.049 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt 56.18 76.7 0.28 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.499 0.666 . . . . 0.0 110.505 -177.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.09 134.05 21.15 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.611 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -69.23 152.76 72.06 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.418 2.079 . . . . 0.0 111.707 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.15 -18.06 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.887 -176.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.478 ' O ' HG13 ' A' ' 35' ' ' ILE . 12.2 m-20 -63.66 -66.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.9 -36.81 83.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.004 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 t -58.44 -52.62 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.052 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 34' ' ' LEU . 4.3 mm? -73.35 -27.67 61.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.466 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 31' ' ' ASP . 79.1 mt -72.08 -39.45 65.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.399 176.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.36 -45.92 91.78 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.8 -36.39 82.27 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.807 176.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.39 -53.4 36.13 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.228 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.16 -39.63 87.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.803 0.335 . . . . 0.0 110.667 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.857 ' HA ' ' HE3' ' A' ' 40' ' ' MET . 2.0 tpt -65.48 -49.89 67.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.463 178.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.3 -46.2 86.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.882 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -59.86 -48.24 82.49 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.162 0.506 . . . . 0.0 110.824 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -63.68 -38.59 91.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.669 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 40' ' ' MET . 76.0 mt -69.58 -39.16 77.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.031 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 84.7 mt -68.29 -17.3 64.24 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.226 -0.296 . . . . 0.0 111.205 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 p -105.55 9.83 33.29 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 175.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.8 m -138.16 -44.32 0.51 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.538 ' HB3' ' HB ' ' B' ' 30' ' ' VAL . 49.1 m -83.31 -13.5 54.98 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -173.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.507 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 19.6 m -89.65 162.86 35.02 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.507 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 10.1 Cg_endo -54.57 -74.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.798 2.332 . . . . 0.0 111.584 173.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -179.98 -80.55 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.666 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.4 m -69.42 -35.76 76.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.524 -173.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -69.96 -6.61 34.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.601 -175.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.488 ' SG ' HG11 ' B' ' 69' ' ' VAL . 48.9 t -56.33 -38.73 71.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.409 -178.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.98 -42.91 95.21 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.076 0.465 . . . . 0.0 110.512 -177.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.98 -45.23 64.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.046 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.87 -41.84 91.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.634 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.19 95.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.769 0.319 . . . . 0.0 110.642 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -70.11 -30.22 67.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.063 0.459 . . . . 0.0 110.369 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.56 76.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.099 174.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.07 -39.69 95.46 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.009 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.611 ' O ' HG12 ' A' ' 66' ' ' ILE . 29.2 t -54.22 -61.87 2.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.561 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -62.13 -27.07 68.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.037 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.1 t -63.0 -44.69 95.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.13 -39.23 86.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.24 176.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 62' ' ' SER . 34.1 mm -58.03 -51.18 73.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.848 177.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -63.61 -36.38 83.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.723 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.65 83.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.833 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.9 t -63.99 -43.02 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.549 ' HD3' ' O ' ' A' ' 66' ' ' ILE . 5.7 mptp? -62.03 -39.88 93.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.945 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.8 m -75.56 -19.89 58.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.178 0.513 . . . . 0.0 110.822 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.491 ' HG3' ' HB ' ' B' ' 46' ' ' THR . 1.4 tmt_? -73.64 -37.38 65.36 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.9 mt -81.99 -39.3 23.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.684 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.717 -177.171 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.471 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 48.2 t . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.07 -23.9 67.31 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 173.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.7 -38.55 64.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.242 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.839 ' HA ' HE21 ' B' ' 11' ' ' GLN . 0.0 OUTLIER -70.73 -40.0 73.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 177.072 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.58 -56.77 17.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.437 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' SER . . . . . 0.407 ' HA ' HG21 ' B' ' 16' ' ' VAL . 11.8 p -59.18 -37.58 77.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.381 -177.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -36.81 79.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 111.313 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 63.1 mt -69.65 -43.0 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.623 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.407 HG21 ' HA ' ' B' ' 13' ' ' SER . 0.0 OUTLIER -70.53 -27.87 32.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.195 179.41 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -67.7 -32.54 73.25 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.828 175.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.733 ' O ' HG21 ' B' ' 22' ' ' VAL . 34.4 t70 -68.48 -42.39 78.74 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.442 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 26.3 mmt -52.57 -45.28 66.38 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.554 0.533 . . . . 0.0 110.791 176.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 71.8 mt -58.69 -42.57 85.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.296 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.619 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -66.47 -37.94 86.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.868 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.733 HG21 ' O ' ' B' ' 18' ' ' ASP . 44.8 t -58.56 -45.45 90.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.264 177.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 19' ' ' MET . 65.3 mt -64.66 -44.36 90.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.984 176.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -59.88 -27.62 66.85 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.361 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 92.0 mttt -58.06 -50.0 74.94 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.075 0.464 . . . . 0.0 110.811 178.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -97.81 -18.45 18.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.544 -175.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 tttm 57.02 58.86 3.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.76 0.791 . . . . 0.0 109.266 -177.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.42 157.12 36.76 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.115 -173.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.49 ' HD2' HD11 ' B' ' 32' ' ' LEU . 57.9 Cg_endo -71.92 172.12 15.24 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.638 2.225 . . . . 0.0 112.194 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.538 ' HB ' ' HB3' ' A' ' 48' ' ' SER . 29.7 m -60.26 -32.53 50.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -176.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.568 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.2 m-20 -63.52 -55.64 22.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.645 0.26 . . . . 0.0 110.852 -177.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.49 HD11 ' HD2' ' B' ' 29' ' ' PRO . 84.2 mt -61.33 -39.44 90.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.78 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 40.8 t -61.73 -38.9 89.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.536 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -73.73 -39.88 63.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.947 -176.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 31' ' ' ASP . 48.2 mt -70.12 -36.23 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.884 -178.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.55 -45.17 94.88 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 174.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.56 -39.86 95.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.538 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.88 -51.76 57.0 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.675 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -62.1 -40.01 94.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.735 0.302 . . . . 0.0 110.406 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.627 ' HE2' HD12 ' B' ' 44' ' ' LEU . 14.1 tpt -64.39 -47.24 79.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.839 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.81 75.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.621 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.8 m -58.19 -49.31 77.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.364 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -54.32 -50.18 67.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.135 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.627 HD12 ' HE2' ' B' ' 40' ' ' MET . 58.9 mt -67.58 -40.97 84.84 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -177.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.5 mt -74.67 -10.57 59.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.491 ' HB ' ' HG3' ' A' ' 72' ' ' ARG . 25.5 p -105.78 -2.83 22.72 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.509 -0.476 . . . . 0.0 112.175 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.6 p -131.54 -41.81 1.06 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -175.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -112.39 28.67 8.57 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -167.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.45 153.89 50.36 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.549 ' HD2' HD21 ' B' ' 57' ' ' LEU . 67.1 Cg_exo -52.22 112.04 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.54 2.16 . . . . 0.0 111.277 175.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -28.46 67.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -172.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 33.5 p -83.45 -33.57 25.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.223 0.535 . . . . 0.0 111.724 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -103.93 16.27 26.71 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.352 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 17.3 p -56.59 -44.52 81.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.468 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.426 ' CD ' ' HZ1' ' A' ' 70' ' ' LYS . 6.7 tp10 -54.49 -46.68 73.47 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.353 0.597 . . . . 0.0 110.738 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.7 -43.99 78.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.459 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.549 HD21 ' HD2' ' B' ' 50' ' ' PRO . 9.8 mp -70.8 -37.54 73.29 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.37 -49.29 78.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 0.0 110.455 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -71.29 -31.52 67.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.007 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.52 -49.83 69.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.063 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.427 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 38.1 t80 -63.01 -46.44 87.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.823 0.344 . . . . 0.0 110.573 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.561 ' HB2' ' OG ' ' A' ' 62' ' ' SER . 8.5 p -64.9 -52.65 55.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.366 -176.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -66.15 -26.17 67.31 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.616 0.246 . . . . 0.0 111.165 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 27.1 t -64.65 -40.21 95.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 91.8 mt -63.32 -42.6 99.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.291 178.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 62' ' ' SER . 13.5 mm -57.38 -48.43 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.413 0.625 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -68.6 -40.32 80.51 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.151 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.77 80.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.488 HG11 ' SG ' ' A' ' 54' ' ' CYS . 97.1 t -61.05 -48.83 87.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.414 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -55.64 -53.18 59.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.4 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 26.1 m -70.64 -26.26 63.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.681 -174.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -52.38 12.84 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 176.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.904 -178.082 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 120.476 0.179 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.78 -158.99 0.34 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-O 120.848 0.356 . . . . 0.0 110.76 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -72.62 108.13 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.133 0.492 . . . . 0.0 110.61 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -125.51 5.16 7.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.202 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m -78.33 105.26 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.003 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -89.13 11.7 17.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 61.55 83.45 0.15 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.583 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.6 m -112.16 143.67 42.82 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.991 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.13 -29.63 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 173.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.41 -38.97 74.7 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.043 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -72.01 -43.36 65.15 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 16' ' ' VAL . 54.3 tp -59.05 -54.75 43.5 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.94 178.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.7 p -56.35 -37.52 70.13 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.405 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.72 94.21 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.829 0.347 . . . . 0.0 110.809 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.22 -50.31 69.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.7 t -65.93 -38.07 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.454 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -55.87 -47.64 76.97 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.821 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.652 ' O ' HG22 ' A' ' 22' ' ' VAL . 38.5 t70 -66.16 -48.22 71.48 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.571 ' SD ' ' HG3' ' B' ' 19' ' ' MET . 52.1 tpp -51.49 -46.65 63.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.079 0.466 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.8 mt -70.16 -44.1 78.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.552 ' O ' ' HG2' ' A' ' 25' ' ' LYS . . . -65.37 -35.0 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 0.0 111.433 -177.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.652 HG22 ' O ' ' A' ' 18' ' ' ASP . 92.2 t -70.01 -45.3 76.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.221 177.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 33' ' ' SER . 48.8 tp -61.78 -34.61 76.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.013 176.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.51 -33.26 75.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.271 177.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 42.1 mmtm -66.54 -44.27 82.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.786 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -75.04 -30.68 61.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 tptm 60.76 75.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.929 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.26 139.9 48.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.498 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -78.5 41.05 0.98 Allowed 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.184 2.589 . . . . 0.0 113.026 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.446 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 66.7 t 72.54 -53.54 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 123.223 0.609 . . . . 0.0 111.798 178.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' O ' HG13 ' A' ' 35' ' ' ILE . 25.6 t70 -56.93 -55.76 30.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.033 -177.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.2 mt -58.96 -41.6 87.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.022 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.408 ' HB3' HD12 ' A' ' 23' ' ' LEU . 1.5 p -66.93 -29.86 69.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.613 0.244 . . . . 0.0 111.501 -177.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 83.7 mt -74.89 -29.25 60.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.751 0.31 . . . . 0.0 110.335 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 31' ' ' ASP . 38.5 mt -72.88 -41.56 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.138 177.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.432 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.41 -42.04 95.16 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.132 0.491 . . . . 0.0 109.918 174.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.551 ' HG ' HD12 ' B' ' 37' ' ' LEU . 7.6 tt -61.36 -45.89 92.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.501 175.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.25 -48.4 86.14 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.392 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -54.84 -49.17 71.74 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 110.517 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.6 tpt -69.08 -41.12 77.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.282 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.83 -46.64 87.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.614 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.9 m -59.7 -46.97 87.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.146 0.498 . . . . 0.0 110.172 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -56.39 -47.65 78.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.885 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.74 -44.56 70.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.459 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.37 -10.13 58.17 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.6 p -109.37 5.87 23.87 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.456 -0.497 . . . . 0.0 111.518 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.9 m -133.43 -45.28 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -175.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -113.18 28.1 9.06 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -168.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.0 m -123.32 150.89 61.55 Favored Pre-proline 0 C--N 1.324 -0.509 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.46 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.659 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . 32.3 Cg_exo -58.73 128.96 30.03 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.515 2.144 . . . . 0.0 111.131 174.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -60.98 -43.52 98.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.007 0.432 . . . . 0.0 111.409 -171.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.408 HG23 ' HG3' ' A' ' 53' ' ' GLN . 14.7 t -90.94 -9.48 45.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.461 -174.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.659 ' HB2' ' HB2' ' A' ' 50' ' ' PRO . 50.0 mt-30 -117.96 19.34 13.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.072 0.463 . . . . 0.0 110.47 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 p -61.18 -45.99 92.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.318 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -64.61 -42.81 95.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.59 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.67 -55.51 29.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.618 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.59 -34.62 78.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.31 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.2 89.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.76 0.314 . . . . 0.0 110.714 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.514 HE21 ' CA ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -68.59 -39.74 80.79 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.154 177.2 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.04 91.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.56 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 21.4 t80 -58.59 -50.91 72.09 Favored 'General case' 0 N--CA 1.461 0.097 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.647 ' O ' HG12 ' A' ' 66' ' ' ILE . 23.8 t -59.82 -54.79 42.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.395 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -52.06 -44.67 64.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.369 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.2 t -63.22 -35.17 79.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.692 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 57.4 mt -75.23 -38.08 60.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.507 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.647 HG12 ' O ' ' A' ' 62' ' ' SER . 21.0 mm -61.02 -43.73 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -61.56 -40.44 94.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.414 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.99 98.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.65 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 65' ' ' LEU . 92.5 t -63.06 -42.28 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.656 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -57.84 -53.92 52.71 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.9 m -73.29 -17.41 61.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.179 0.514 . . . . 0.0 111.25 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.646 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -72.44 -56.18 5.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.116 0.484 . . . . 0.0 109.77 174.33 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.78 -49.78 69.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.491 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.69 97.83 11.03 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -128.32 10.77 6.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.458 -177.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -116.76 46.33 1.66 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -47.52 -66.46 0.4 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.876 -171.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -79.48 122.91 27.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.219 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 80.8 t60 68.4 96.82 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.855 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.7 m80 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.248 -0.882 . . . . 0.0 109.761 176.663 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.9 172.78 0.18 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 172.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -85.37 151.65 23.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.752 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -122.84 -42.89 2.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.557 ' HB3' ' HA ' ' B' ' 9' ' ' ASP . 42.1 t -130.6 132.27 45.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.884 173.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -79.96 -21.24 43.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.055 0.455 . . . . 0.0 110.181 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -90.75 -68.36 0.79 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.655 -175.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.445 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 47.9 t -143.82 103.26 4.03 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.202 176.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.557 ' HA ' ' HB3' ' B' ' 5' ' ' SER . 0.7 OUTLIER -62.14 -22.97 66.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.162 177.403 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.94 -50.0 22.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.181 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.46 ' O ' HG13 ' B' ' 15' ' ' ILE . 19.3 mt-30 -60.98 -40.28 92.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.83 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.643 ' O ' HG21 ' B' ' 16' ' ' VAL . 65.1 tp -58.63 -54.46 46.79 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.962 177.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 31.0 m -55.63 -39.87 71.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.024 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.71 95.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.944 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.46 HG13 ' O ' ' B' ' 11' ' ' GLN . 83.5 mt -62.76 -50.29 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.643 HG21 ' O ' ' B' ' 12' ' ' LEU . 1.7 t -63.92 -38.19 81.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.15 0.5 . . . . 0.0 110.119 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.17 -49.79 72.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.053 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.436 ' O ' HG12 ' B' ' 22' ' ' VAL . 28.0 t70 -71.6 -27.97 63.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.374 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.571 ' HG3' ' SD ' ' A' ' 19' ' ' MET . 53.4 ttp -60.05 -41.73 92.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.244 0.545 . . . . 0.0 110.197 175.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 73.7 mt -67.33 -41.4 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.851 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.86 -48.36 82.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.701 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.635 HG11 HG11 ' A' ' 22' ' ' VAL . 23.4 m -66.81 -27.89 41.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 120.679 0.275 . . . . 0.0 110.989 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 57.4 tp -65.42 -51.65 58.79 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.791 173.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.02 -28.67 70.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.821 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' B' ' 22' ' ' VAL . 36.5 ttpt -63.3 -28.92 70.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.888 176.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -101.59 -19.53 15.43 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 64.03 81.39 0.21 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.68 0.613 . . . . 0.0 111.141 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.09 135.78 26.26 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.717 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.434 ' HD2' HD12 ' B' ' 32' ' ' LEU . 42.8 Cg_endo -69.14 166.05 28.15 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.183 1.922 . . . . 0.0 111.117 174.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.63 -33.74 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.508 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.661 ' O ' HG12 ' B' ' 35' ' ' ILE . 5.8 m-20 -59.61 -67.39 0.38 Allowed 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.933 0.397 . . . . 0.0 110.61 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.434 HD12 ' HD2' ' B' ' 29' ' ' PRO . 95.5 mt -58.15 -34.68 70.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.581 -177.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.4 t -62.8 -37.58 87.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.398 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.2 mt -77.27 -34.03 55.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.692 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.661 HG12 ' O ' ' B' ' 31' ' ' ASP . 25.8 mm -64.11 -45.81 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.094 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.429 ' CB ' HG21 ' A' ' 16' ' ' VAL . . . -61.66 -42.94 99.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.542 176.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.551 HD12 ' HG ' ' A' ' 37' ' ' LEU . 42.8 tp -65.37 -39.29 92.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.548 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.31 -47.34 90.35 Favored Glycine 0 C--O 1.236 0.231 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.285 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -61.92 -42.93 99.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.961 0.41 . . . . 0.0 110.194 176.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.438 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 27.4 ttt -62.08 -51.91 66.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.143 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.73 -51.47 65.52 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.462 ' OG ' HD22 ' A' ' 65' ' ' LEU . 17.1 m -63.84 -45.55 89.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.244 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -62.57 -39.56 94.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.453 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 40' ' ' MET . 56.3 mt -67.44 -47.07 71.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.835 0.35 . . . . 0.0 111.117 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.03 -25.58 68.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.305 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 17.0 p -97.07 12.97 30.73 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.581 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 23.7 m -133.68 -50.72 0.85 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.837 0.351 . . . . 0.0 111.842 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.5 m -80.62 -35.42 34.06 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -171.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.539 HG22 ' HB3' ' B' ' 54' ' ' CYS . 4.8 m -117.63 162.12 30.38 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -174.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 10.6 Cg_endo -53.9 127.18 24.54 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 123.552 2.835 . . . . 0.0 113.194 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -54.78 -54.5 41.3 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.568 -174.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 12.7 t -69.84 -10.74 59.56 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -108.72 -35.65 6.36 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.395 -175.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . 0.539 ' HB3' HG22 ' B' ' 49' ' ' VAL . 27.2 p -63.05 -31.28 72.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.702 0.287 . . . . 0.0 110.727 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.46 -44.12 89.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.452 176.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.88 -43.73 74.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.567 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.42 -37.62 86.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.781 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.54 81.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.199 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.525 HE21 HG13 ' A' ' 66' ' ' ILE . 40.9 mm-40 -61.25 -48.68 80.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.072 176.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.64 75.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.697 0.284 . . . . 0.0 111.314 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -64.93 -41.21 95.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.457 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.616 ' O ' HG12 ' B' ' 66' ' ' ILE . 37.8 t -62.44 -49.2 76.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.293 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.415 ' N ' HD21 ' B' ' 63' ' ' ASN . 0.9 OUTLIER -61.43 -34.36 75.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.488 178.755 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 13.8 t -64.23 -40.25 95.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.057 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.78 -38.18 90.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.304 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.616 HG12 ' O ' ' B' ' 62' ' ' SER . 21.9 mm -61.5 -43.58 97.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . 0.421 ' HA ' ' HE3' ' B' ' 70' ' ' LYS . 54.9 t30 -60.97 -38.93 87.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.436 178.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.27 -52.41 64.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.803 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.76 -46.47 96.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.421 ' HE3' ' HA ' ' B' ' 67' ' ' ASN . 25.5 ttpp -54.36 -54.01 46.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.115 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 5.4 m -81.41 -1.15 44.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.553 -174.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -80.03 -38.06 32.74 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 169.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.02 -43.88 28.15 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 172.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.413 ' HA ' ' CD2' ' B' ' 76' ' ' HIS . 12.2 mm-40 -85.05 43.48 1.01 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.683 0.754 . . . . 0.0 110.211 175.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -81.91 47.28 1.08 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.644 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.413 ' CD2' ' HA ' ' B' ' 74' ' ' GLU . 27.4 m-70 -101.6 148.86 24.72 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -177.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.14 75.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.522 0.201 . . . . 0.0 111.307 -177.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -113.82 92.52 4.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.028 0.442 . . . . 0.0 110.514 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.18 -32.17 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -176.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 72.9 t60 . . . . . 0 C--O 1.247 0.921 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.101 174.661 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.77 163.62 20.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.42 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -83.51 169.56 15.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.728 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -72.79 118.97 16.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.393 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -68.88 145.33 53.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.422 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -80.31 30.06 0.29 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 -176.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 58.06 48.54 12.95 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.227 0.537 . . . . 0.0 109.781 -171.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.5 m -62.28 125.83 25.24 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.94 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -60.92 -18.93 59.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.587 172.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.45 -38.66 29.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.951 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.68 -45.47 68.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.939 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.674 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.2 tp -60.53 -56.51 20.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.758 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.3 m -55.58 -36.38 66.81 Favored 'General case' 0 C--N 1.332 -0.172 0 O-C-N 123.269 0.356 . . . . 0.0 111.276 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.51 98.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 110.78 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -73.33 -44.51 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.234 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.8 t -64.65 -42.74 95.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.986 0.422 . . . . 0.0 110.485 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -70.62 -27.74 64.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.628 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.647 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.3 t0 -66.36 -47.93 71.84 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 177.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.9 mmt -58.55 -33.39 69.85 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.3 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 16' ' ' VAL . 71.8 mt -61.21 -44.53 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.108 0.48 . . . . 0.0 109.844 175.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.89 -33.11 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.197 177.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 18' ' ' ASP . 68.7 t -61.84 -40.26 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.298 175.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.571 HD13 ' HG ' ' A' ' 33' ' ' SER . 59.2 tp -60.03 -41.23 91.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.256 175.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -73.3 -17.53 61.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.94 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -76.08 -13.95 60.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.358 0.599 . . . . 0.0 110.289 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -122.69 -30.32 3.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.927 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.693 ' HB2' ' HZ1' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 61.98 75.0 0.42 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.987 -178.545 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.57 139.22 20.44 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.485 ' HG2' ' OD1' ' A' ' 31' ' ' ASP . 59.0 Cg_endo -74.29 39.2 0.52 Allowed 'Trans proline' 0 CA--C 1.535 0.575 0 C-N-CA 123.232 2.621 . . . . 0.0 114.405 -172.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.6 t 75.12 -52.76 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 123.467 0.707 . . . . 0.0 112.136 175.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' OD1' ' HG2' ' A' ' 29' ' ' PRO . 19.5 p-10 -64.78 -50.6 66.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.758 0.314 . . . . 0.0 110.268 -177.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.0 tp -64.11 -31.79 73.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.488 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.571 ' HG ' HD13 ' A' ' 23' ' ' LEU . 1.4 m -64.44 -42.34 96.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.382 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.1 mt -72.75 -23.88 60.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.42 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 31' ' ' ASP . 71.1 mt -68.61 -45.33 81.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 0.0 110.354 175.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.442 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -59.39 -47.61 84.79 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.279 0.562 . . . . 0.0 110.544 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.78 -21.29 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.679 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.43 -47.56 34.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.209 -0.52 . . . . 0.0 112.08 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.55 -34.74 76.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.107 0.479 . . . . 0.0 110.063 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.3 ttt -69.46 -48.39 60.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.885 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.91 63.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.6 p -62.2 -40.86 97.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.088 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -58.04 -49.41 76.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.735 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.642 HD12 HG11 ' B' ' 30' ' ' VAL . 68.1 mt -69.02 -42.22 76.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.284 -177.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.428 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 86.0 mt -66.12 -21.09 66.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.526 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.5 p -100.53 -4.53 28.48 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.608 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -117.64 -41.67 2.92 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -176.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 m -89.34 -62.72 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.699 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 32.8 m -74.07 164.11 63.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 C-N-CA 121.305 -0.158 . . . . 0.0 111.012 -176.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.699 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 14.9 Cg_endo -57.57 115.61 2.63 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.675 2.25 . . . . 0.0 112.46 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.685 ' HB3' HD11 ' B' ' 73' ' ' LEU . 25.8 mp0 -58.14 -37.43 74.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.209 -178.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.559 HG21 ' HG2' ' A' ' 53' ' ' GLN . 11.3 t -73.28 -8.12 54.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.666 -177.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.753 ' HA ' HE21 ' A' ' 53' ' ' GLN . 0.0 OUTLIER -124.07 9.67 8.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.348 -179.196 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.554 ' SG ' HG13 ' B' ' 69' ' ' VAL . 25.5 t -63.69 -54.93 27.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.361 -171.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.682 ' HB3' HG22 ' B' ' 66' ' ' ILE . 1.6 mp0 -62.79 -34.97 78.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.004 0.43 . . . . 0.0 110.478 -177.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.96 -51.07 61.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 53' ' ' GLN . 10.8 mp -72.58 -38.45 67.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.464 -177.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.97 95.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.728 0.299 . . . . 0.0 110.403 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -62.73 -43.29 99.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.263 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.74 -48.72 80.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -65.83 -41.82 91.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.813 0.339 . . . . 0.0 110.232 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.588 ' O ' HG12 ' A' ' 66' ' ' ILE . 38.8 t -57.97 -53.26 60.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.392 178.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.447 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . 96.1 m-20 -63.44 -27.97 69.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.385 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 m -63.54 -37.42 87.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.127 0.489 . . . . 0.0 110.112 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 69' ' ' VAL . 85.8 mt -74.93 -34.24 62.07 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.207 175.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 62' ' ' SER . 42.8 mm -59.62 -41.8 86.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.19 0.519 . . . . 0.0 109.741 174.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -65.71 -32.32 73.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.531 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.78 -39.37 84.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.069 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 65' ' ' LEU . 98.0 t -60.1 -43.78 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.998 173.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 66' ' ' ILE . 68.3 mttm -59.73 -32.63 70.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.32 175.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 26.3 m -68.45 -27.46 66.19 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.596 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -74.37 -25.59 59.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.023 0.439 . . . . 0.0 110.499 173.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mp -81.71 -12.58 58.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.946 173.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -82.89 105.67 14.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 171.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -67.17 -39.17 86.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.221 -173.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -138.61 -77.52 0.36 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.079 172.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 46.66 67.43 0.78 Allowed 'General case' 0 CA--C 1.529 0.145 0 O-C-N 124.004 0.815 . . . . 0.0 110.244 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -67.36 94.4 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.271 -169.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -116.53 63.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.477 0.656 . . . . 0.0 110.388 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.1 t60 . . . . . 0 C--O 1.247 0.937 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.805 179.576 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.51 -84.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.666 -176.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -132.92 160.36 37.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.112 0.482 . . . . 0.0 111.395 -174.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -132.55 115.74 15.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.501 174.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -84.57 132.81 34.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.163 0.506 . . . . 0.0 111.136 -175.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' B' ' 7' ' ' TYR . 15.6 ptmt -131.08 29.7 4.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.182 175.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' B' ' 6' ' ' LYS . 18.2 m-85 76.35 90.89 0.07 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.759 -170.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.467 ' HB2' ' CB ' ' B' ' 11' ' ' GLN . 18.3 m -98.66 123.26 42.75 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -65.74 -16.92 64.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.332 0.587 . . . . 0.0 109.715 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.31 -35.74 23.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.793 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.467 ' CB ' ' HB2' ' B' ' 8' ' ' SER . 64.6 tt0 -72.79 -43.45 62.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.73 177.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.625 ' O ' HG21 ' B' ' 16' ' ' VAL . 64.9 tp -58.42 -54.37 47.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.512 178.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 21.8 p -55.6 -42.74 75.29 Favored 'General case' 0 C--N 1.333 -0.152 0 O-C-N 123.304 0.377 . . . . 0.0 111.005 -177.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.14 -41.18 78.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.951 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.428 HG13 ' O ' ' B' ' 11' ' ' GLN . 74.0 mt -68.43 -46.83 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.134 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.625 HG21 ' O ' ' B' ' 12' ' ' LEU . 1.6 t -63.59 -42.82 97.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 121.131 0.491 . . . . 0.0 109.771 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -69.66 -19.55 63.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.417 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.795 ' O ' HG21 ' B' ' 22' ' ' VAL . 34.4 t70 -74.14 -48.5 28.97 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 26.0 mmt -56.9 -43.25 81.16 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.724 0.64 . . . . 0.0 110.476 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.57 -41.48 90.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.27 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.589 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -63.58 -40.79 97.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.428 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.795 HG21 ' O ' ' B' ' 18' ' ' ASP . 25.2 t -58.19 -42.11 82.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.495 177.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.98 -32.19 71.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.57 -23.29 53.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.704 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 71.7 mmtt -75.02 -52.06 12.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.429 . . . . 0.0 110.386 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -89.5 -22.19 22.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.815 -175.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm 65.49 90.14 0.09 Allowed 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.836 0.71 . . . . 0.0 110.819 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.87 124.24 18.58 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.039 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.39 162.41 42.46 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.372 2.048 . . . . 0.0 111.946 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.642 HG11 HD12 ' A' ' 44' ' ' LEU . 61.8 t -51.14 -34.13 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.392 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.37 -69.01 0.16 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.263 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.22 -34.77 78.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.763 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 46.4 t -64.81 -34.42 78.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.606 0.241 . . . . 0.0 110.657 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 19.0 tp -69.93 -39.32 76.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.087 0.47 . . . . 0.0 109.913 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.4 mt -62.54 -40.84 89.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.418 176.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.483 ' CB ' HG21 ' A' ' 16' ' ' VAL . . . -62.57 -41.78 99.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.714 176.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 51.6 tp -63.12 -40.09 96.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.42 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.71 98.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.321 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -62.23 -44.41 96.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.463 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 49.4 ttm -61.04 -48.3 82.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.777 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.53 -43.82 72.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.711 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 16.8 m -60.78 -49.31 77.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.461 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.29 -43.03 92.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.978 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 40' ' ' MET . 61.0 mt -69.33 -40.3 77.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.303 -177.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.472 ' HA ' HG23 ' B' ' 49' ' ' VAL . 96.4 mt -76.19 -13.48 60.18 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.652 -177.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 22.3 p -105.44 -0.35 26.09 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.567 -0.453 . . . . 0.0 112.062 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 39.2 m -141.71 -37.52 0.41 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -174.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.7 m -92.83 -30.68 15.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.061 -0.399 . . . . 0.0 111.786 -169.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' B' ' 45' ' ' LEU . 35.4 m -106.28 154.65 39.6 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.748 -0.206 . . . . 0.0 110.544 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.59 ' HB2' ' HG2' ' B' ' 53' ' ' GLN . 31.4 Cg_exo -59.44 107.89 0.41 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.498 2.132 . . . . 0.0 111.476 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.509 ' HA ' ' HB2' ' B' ' 54' ' ' CYS . 21.1 pt20 -60.0 -33.47 72.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -172.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -60.4 -30.01 69.33 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.94 0.4 . . . . 0.0 111.413 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.59 ' HG2' ' HB2' ' B' ' 50' ' ' PRO . 19.8 pt20 -122.36 18.92 10.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.057 0.456 . . . . 0.0 110.137 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . 0.509 ' HB2' ' HA ' ' B' ' 51' ' ' GLN . 49.4 t -59.69 -39.45 84.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.872 -177.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.03 -39.94 79.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.783 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.07 92.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.17 -44.94 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.723 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.83 -46.0 83.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.555 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.556 ' NE2' HG13 ' A' ' 66' ' ' ILE . 73.1 mm-40 -64.12 -34.94 79.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.449 0.166 . . . . 0.0 110.856 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.57 -49.45 76.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.927 0.394 . . . . 0.0 110.496 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -64.16 -40.8 96.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.989 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.608 ' O ' HG12 ' B' ' 66' ' ' ILE . 23.0 t -59.47 -58.92 6.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.731 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -58.97 -34.66 72.06 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.874 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -67.02 -32.4 73.59 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.646 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 87.4 mt -75.54 -39.23 58.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.144 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.682 HG22 ' HB3' ' A' ' 55' ' ' GLU . 39.2 mm -55.99 -48.48 78.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 121.01 0.434 . . . . 0.0 110.597 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -65.12 -44.11 89.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.871 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.35 -48.69 80.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.809 0.337 . . . . 0.0 111.267 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.554 HG13 ' SG ' ' A' ' 54' ' ' CYS . 68.9 t -63.24 -46.18 96.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' B' ' 70' ' ' LYS . 23.5 ttmm -61.74 -34.55 76.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.771 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 56.4 m -71.13 -27.74 63.79 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.929 0.395 . . . . 0.0 110.88 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -75.04 -36.05 61.87 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.682 0.277 . . . . 0.0 110.395 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.685 HD11 ' HB3' ' A' ' 51' ' ' GLN . 4.3 mm? -69.84 -39.7 76.28 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 172.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 67.54 -93.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.906 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 54.74 64.19 1.89 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 -173.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -61.75 104.02 0.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.176 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -80.54 59.74 3.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.961 -176.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -141.88 160.85 39.36 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.301 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.22 19.65 1.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.257 0.551 . . . . 0.0 110.714 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.4 t60 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.194 -0.907 . . . . 0.0 108.774 174.268 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.8 mtt . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.756 0.312 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.4 152.85 22.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.226 -177.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -80.21 99.82 8.0 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -116.69 -18.28 10.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.232 -177.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 m -128.12 115.74 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.356 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -100.19 10.91 40.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.209 0.528 . . . . 0.0 110.329 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.828 ' HE1' ' HG2' ' B' ' 29' ' ' PRO . 18.0 m-85 60.33 72.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.378 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.548 ' HB2' ' HG2' ' A' ' 11' ' ' GLN . 15.8 m -83.99 137.3 33.68 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.69 175.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -61.46 -25.01 66.96 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 175.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.35 -37.7 60.52 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.55 177.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.548 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 15.7 mm100 -67.12 -42.11 85.06 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.554 176.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.682 ' O ' HG23 ' A' ' 16' ' ' VAL . 43.7 tp -57.57 -53.93 52.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.345 176.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -51.03 -47.57 61.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.48 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.61 87.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.321 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.476 ' O ' ' HG2' ' A' ' 19' ' ' MET . 73.8 mt -67.99 -45.37 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.799 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.0 t -65.92 -38.65 82.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.9 0.381 . . . . 0.0 110.018 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.416 HD21 ' HA ' ' A' ' 17' ' ' ASN . 8.6 m120 -62.26 -39.21 92.15 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.538 176.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.724 ' O ' HG21 ' A' ' 22' ' ' VAL . 30.9 t70 -62.81 -50.15 72.12 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.78 ' HA ' ' HE1' ' A' ' 19' ' ' MET . 14.4 mmt -51.75 -46.01 63.91 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.432 0.458 . . . . 0.0 111.118 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 16' ' ' VAL . 76.9 mt -62.35 -44.6 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.42 -40.53 85.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.085 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.724 HG21 ' O ' ' A' ' 18' ' ' ASP . 59.2 t -58.13 -48.39 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.174 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.0 tp -64.39 -44.15 92.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.488 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.67 -50.95 66.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.071 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -82.56 -8.46 59.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.985 -171.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -93.0 -28.9 16.12 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 tttm 54.73 85.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.406 -1.27 . . . . 0.0 111.881 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.47 130.27 22.96 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.411 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.52 160.52 42.6 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.221 1.947 . . . . 0.0 111.223 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 52.1 t -51.4 -30.63 10.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 123.683 0.614 . . . . 0.0 111.826 -175.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.488 ' O ' HG13 ' A' ' 35' ' ' ILE . 20.2 m-20 -68.54 -55.56 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.248 0.546 . . . . 0.0 110.375 -178.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.01 -32.06 68.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.461 -173.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.409 ' O ' HD22 ' A' ' 37' ' ' LEU . 25.4 p -63.93 -41.57 97.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 110.305 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 88.8 mt -66.42 -39.17 88.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.872 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 31' ' ' ASP . 44.1 mt -70.35 -39.05 76.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.803 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.471 ' HA ' HG21 ' B' ' 16' ' ' VAL . . . -61.1 -49.73 76.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.768 0.318 . . . . 0.0 110.309 176.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD22 ' O ' ' A' ' 33' ' ' SER . 4.1 mm? -59.26 -42.57 91.5 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.27 175.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.94 -55.45 27.87 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.834 -0.621 . . . . 0.0 113.049 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -61.57 -42.34 98.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.844 0.355 . . . . 0.0 110.765 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.458 ' HE3' HD22 ' A' ' 44' ' ' LEU . 12.6 tpt -66.26 -44.65 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.439 -177.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.46 86.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.607 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.7 m -60.17 -47.98 83.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.956 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -58.08 -42.86 86.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.809 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.458 HD22 ' HE3' ' A' ' 40' ' ' MET . 76.2 mt -65.23 -50.04 67.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.89 -22.15 65.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.853 0.358 . . . . 0.0 111.256 -177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 p -101.2 13.79 34.0 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.78 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.4 m -136.55 -50.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.8 p -94.98 -39.64 10.08 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -167.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.6 m -80.6 152.35 72.51 Favored Pre-proline 0 C--N 1.325 -0.497 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.15 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.489 ' HG2' ' HB2' ' A' ' 53' ' ' GLN . 6.3 Cg_endo -48.77 127.79 17.33 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.416 2.744 . . . . 0.0 111.79 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -64.58 -30.71 71.74 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -172.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.5 m -75.63 -20.23 58.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.375 0.607 . . . . 0.0 110.523 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.489 ' HB2' ' HG2' ' A' ' 50' ' ' PRO . 10.3 mm100 -112.26 13.32 20.41 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -176.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 44.0 t -55.2 -53.68 52.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.62 -173.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -82.3 -27.16 32.48 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.573 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.19 -46.96 86.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.378 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.469 HD11 ' HB3' ' A' ' 53' ' ' GLN . 10.2 mp -73.75 -29.54 62.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.654 177.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.64 75.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.01 0.434 . . . . 0.0 110.457 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.73 -30.62 68.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 178.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.72 73.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.503 176.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -59.73 -40.96 89.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.084 0.469 . . . . 0.0 110.146 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.61 ' O ' HG12 ' A' ' 66' ' ' ILE . 49.4 m -59.67 -60.44 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.27 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -64.46 -35.19 80.13 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.5 p -66.62 -36.49 82.72 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.646 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.54 -37.49 80.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.717 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.61 HG12 ' O ' ' A' ' 62' ' ' SER . 16.0 mm -58.98 -46.77 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -61.94 -45.43 93.7 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.879 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.91 79.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.328 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.9 t -63.82 -43.13 97.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.975 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.36 -36.67 84.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.069 0.461 . . . . 0.0 110.96 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.3 m -70.32 -32.36 70.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.971 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.434 ' HD2' HG22 ' B' ' 46' ' ' THR . 89.9 mtt180 -80.54 -23.62 39.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.97 0.414 . . . . 0.0 110.604 178.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.7 tp -69.89 -40.57 75.58 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 172.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -90.97 -166.09 1.5 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.092 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 52.94 74.89 0.27 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.639 0.587 . . . . 0.0 111.152 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -92.04 125.12 36.6 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -75.92 87.72 2.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.867 -168.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -140.59 40.85 1.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.844 0.83 . . . . 0.0 108.963 172.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -99.18 157.4 16.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.685 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.336 -0.84 . . . . 0.0 109.709 177.406 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.684 ' HB2' ' HB2' ' B' ' 5' ' ' SER . . . -78.15 87.41 4.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.225 0.536 . . . . 0.0 111.283 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -101.17 -30.0 11.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -79.39 -33.92 42.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.801 174.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.684 ' HB2' ' HB2' ' B' ' 2' ' ' ALA . 13.4 m -89.17 86.63 6.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.743 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -121.21 26.8 8.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 62.86 84.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.552 0.532 . . . . 0.0 110.609 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.627 ' HG ' ' HB3' ' B' ' 11' ' ' GLN . 1.0 OUTLIER -81.11 112.15 18.2 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.26 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.25 -19.95 56.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.545 176.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.46 -30.53 33.38 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.67 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.627 ' HB3' ' HG ' ' B' ' 8' ' ' SER . 21.5 tm0? -80.39 -29.8 37.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.41 177.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.69 ' O ' HG23 ' B' ' 16' ' ' VAL . 42.5 tp -63.79 -55.55 22.23 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 174.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 3.0 p -55.66 -38.4 69.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.352 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.69 -30.03 69.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.601 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.613 HG22 ' O ' ' B' ' 12' ' ' LEU . 6.5 tp -82.72 -34.0 11.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.542 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.4 t -74.65 -40.47 47.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -68.22 -25.8 65.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.208 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.707 ' O ' HG22 ' B' ' 22' ' ' VAL . 9.5 t70 -64.72 -52.27 58.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 174.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 65.5 mtt -56.37 -41.22 75.83 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.269 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 16' ' ' VAL . 73.3 mt -56.92 -47.59 82.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.129 0.49 . . . . 0.0 110.157 176.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.492 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -67.35 -36.92 82.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.764 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.707 HG22 ' O ' ' B' ' 18' ' ' ASP . 42.0 t -60.13 -42.51 90.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.204 0.526 . . . . 0.0 110.177 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.16 -46.36 89.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.632 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -65.01 -26.78 68.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.24 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 64.7 mttp -73.91 -14.69 61.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.959 0.409 . . . . 0.0 110.819 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -106.95 -30.5 8.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.408 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 15.7 ttpp 57.5 37.67 27.79 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 110.217 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -73.28 143.67 83.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.814 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.828 ' HG2' ' HE1' ' A' ' 7' ' ' TYR . 11.4 Cg_exo -68.89 154.33 71.15 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.599 2.199 . . . . 0.0 110.86 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.6 p -61.99 -29.0 45.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.683 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.601 ' O ' HG13 ' B' ' 35' ' ' ILE . 17.4 m-20 -60.4 -63.45 1.29 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.314 0.578 . . . . 0.0 109.735 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 19.3 tp -63.81 -36.42 83.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.673 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.0 t -59.37 -48.94 79.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.013 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 58.6 mt -71.11 -18.54 62.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.58 -177.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.601 HG13 ' O ' ' B' ' 31' ' ' ASP . 62.7 mt -75.69 -45.78 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.424 ' CB ' HG21 ' A' ' 16' ' ' VAL . . . -62.17 -52.92 61.87 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.619 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.85 -27.48 67.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.785 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.88 -48.39 61.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.012 176.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -64.46 -33.14 75.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.749 0.309 . . . . 0.0 110.861 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -71.69 -46.48 58.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.44 -52.3 65.16 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.2 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.2 p -61.73 -45.12 95.32 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.69 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -53.76 -54.28 40.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.764 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.72 -40.63 97.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.556 -177.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.409 ' HB3' ' SG ' ' B' ' 54' ' ' CYS . 88.4 mt -69.61 -16.65 63.43 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.714 -177.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.434 HG22 ' HD2' ' A' ' 72' ' ' ARG . 6.9 p -112.87 12.55 19.48 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.718 176.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 25.6 m -130.48 -43.72 1.13 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.392 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.5 m -86.07 -44.08 12.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.546 0.213 . . . . 0.0 111.39 -173.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -99.38 158.76 31.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.971 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.69 119.1 6.05 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.667 2.244 . . . . 0.0 111.461 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -55.35 -38.88 69.34 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 38.6 m -62.79 -39.45 94.28 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 111.228 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -93.03 -6.12 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.341 0.591 . . . . 0.0 110.417 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' B' ' 45' ' ' LEU . 36.3 t -63.1 -30.35 71.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.52 -175.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -59.64 -49.31 78.23 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.54 ' HA ' HE21 ' B' ' 59' ' ' GLN . . . -65.27 -38.38 90.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.505 178.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -51.34 70.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.582 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.5 -35.51 80.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.375 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.54 HE21 ' HA ' ' B' ' 56' ' ' ALA . 20.8 mt-30 -63.92 -40.43 96.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.826 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.28 -41.91 80.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.93 0.395 . . . . 0.0 110.355 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -59.13 -52.81 64.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.761 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.642 ' O ' HG12 ' B' ' 66' ' ' ILE . 7.9 p -60.36 -52.2 66.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.93 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -55.52 -43.94 76.18 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 24.2 m -66.85 -33.66 76.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.985 0.421 . . . . 0.0 110.054 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 30.0 tp -64.76 -47.53 77.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.339 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.642 HG12 ' O ' ' B' ' 62' ' ' SER . 9.8 mm -60.52 -42.94 93.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 121.437 0.637 . . . . 0.0 109.722 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -63.81 -40.6 97.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.091 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.72 99.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.843 0.354 . . . . 0.0 110.799 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.68 -49.71 83.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.202 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -56.71 -34.79 67.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.53 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 54.3 m -70.0 -37.37 75.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.116 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -77.34 -29.94 53.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.956 0.408 . . . . 0.0 110.306 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.34 -50.79 20.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.601 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' B' ' 75' ' ' HIS . 0.6 OUTLIER 66.46 172.99 0.24 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.557 0.535 . . . . 0.0 110.599 178.06 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.457 ' H ' ' CD ' ' B' ' 74' ' ' GLU . 14.2 p80 -158.57 -20.64 0.08 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -105.21 66.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.47 6.88 21.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.461 -170.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -79.36 111.6 15.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -102.63 -169.5 1.67 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.167 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.852 -0.594 . . . . 0.0 110.3 -179.474 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.84 154.58 25.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.891 0.376 . . . . 0.0 110.843 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -64.09 168.01 5.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.28 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 5' ' ' SER . 17.7 t-160 -105.87 14.03 28.64 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 175.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 4' ' ' HIS . 69.6 m 73.29 113.61 0.06 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.072 -178.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -122.6 80.93 1.79 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 74.02 83.22 0.11 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.095 -1.412 . . . . 0.0 110.715 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.436 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 45.1 t -97.63 120.85 38.76 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.465 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -63.8 -21.51 66.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.495 0.664 . . . . 0.0 109.272 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.65 -40.79 40.6 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.01 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.539 ' O ' HG13 ' A' ' 15' ' ' ILE . 77.8 mt-30 -72.53 -27.46 62.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.15 176.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 tp -56.26 -59.01 5.56 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.723 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 m -55.54 -39.44 70.58 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 123.411 0.444 . . . . 0.0 110.914 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.13 -37.82 78.16 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.214 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 11' ' ' GLN . 92.4 mt -68.21 -51.23 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.808 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -39.1 84.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.198 -177.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -62.8 -47.28 84.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.386 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.598 ' O ' HG23 ' A' ' 22' ' ' VAL . 28.6 t70 -59.64 -51.24 70.66 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.391 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.8 ttm -53.9 -42.97 69.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 86.4 mt -70.98 -47.07 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.129 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.12 82.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 111.105 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 18' ' ' ASP . 59.1 t -61.93 -40.13 86.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.375 0.607 . . . . 0.0 110.426 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.01 -45.08 95.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.626 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.45 -35.07 77.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.446 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -66.25 -40.61 90.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.761 0.315 . . . . 0.0 110.843 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -72.78 -24.66 60.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 174.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.418 ' HE2' ' HB2' ' A' ' 27' ' ' LYS . 17.5 ttmm 70.35 83.08 0.15 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.534 175.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -120.27 122.99 28.48 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.569 173.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.622 ' HD2' ' HB3' ' A' ' 32' ' ' LEU . 12.7 Cg_exo -66.78 164.35 29.74 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.538 2.159 . . . . 0.0 111.646 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.51 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 72.4 t -55.49 -40.43 58.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 111.124 -178.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.461 ' O ' HG13 ' A' ' 35' ' ' ILE . 1.6 p-10 -63.17 -55.09 28.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.347 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.622 ' HB3' ' HD2' ' A' ' 29' ' ' PRO . 61.9 tp -61.09 -42.7 99.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.003 0.43 . . . . 0.0 111.078 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.8 t -63.73 -35.34 80.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 1.3 tt -65.1 -36.56 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.975 0.417 . . . . 0.0 110.045 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 31' ' ' ASP . 51.6 mt -64.77 -46.27 92.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.55 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -64.14 -50.15 69.35 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.79 178.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.404 HD11 HD12 ' B' ' 37' ' ' LEU . 32.7 tp -63.23 -39.49 94.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.719 -178.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.52 -46.63 93.38 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.866 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -61.74 -46.22 90.55 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.6 ttt -59.51 -40.67 87.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.757 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.66 84.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.194 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.7 p -67.13 -38.54 85.74 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.842 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -61.05 -43.22 99.21 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.039 0.447 . . . . 0.0 110.346 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.3 tp -56.61 -52.65 64.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.198 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.04 -32.08 73.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.339 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.0 p -93.28 15.74 14.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.576 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.9 m -140.93 -46.99 0.4 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.483 ' HB3' HG11 ' B' ' 30' ' ' VAL . 34.1 m -88.85 -54.54 4.09 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -171.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 m -79.31 150.28 73.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.437 -174.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.21 131.87 41.42 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.17 2.58 . . . . 0.0 112.258 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -70.17 -26.06 63.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.73 -171.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.8 m -68.62 -24.29 64.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.247 0.546 . . . . 0.0 111.558 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.42 HE21 HD13 ' A' ' 57' ' ' LEU . 15.5 pt20 -130.09 26.76 5.17 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -175.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.68 -53.49 56.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.27 -175.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.33 -25.34 39.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.978 0.418 . . . . 0.0 110.118 -178.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.68 97.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.161 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.42 HD13 HE21 ' A' ' 53' ' ' GLN . 7.4 mp -74.01 -33.46 63.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.131 177.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.08 94.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.198 0.523 . . . . 0.0 110.33 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.93 -35.15 76.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.006 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.52 81.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.625 176.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -57.79 -48.92 78.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.67 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.661 ' O ' HG12 ' A' ' 66' ' ' ILE . 3.0 p -63.33 -45.67 90.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.471 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -63.14 -40.84 98.74 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.07 0.462 . . . . 0.0 111.123 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 t -64.82 -35.53 81.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.279 0.561 . . . . 0.0 109.544 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.2 -38.66 91.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.372 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.661 HG12 ' O ' ' A' ' 62' ' ' SER . 40.2 mm -56.35 -43.82 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 121.291 0.567 . . . . 0.0 109.936 176.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -66.67 -38.46 86.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.074 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.22 -46.07 85.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.45 -39.35 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.642 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 35.1 ttmt -56.76 -41.29 77.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.4 m -70.74 -33.5 70.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.708 0.289 . . . . 0.0 111.206 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -68.0 -38.22 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.191 0.519 . . . . 0.0 110.456 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.9 tp -77.89 -46.96 19.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.808 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -99.91 98.52 9.29 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.085 0.469 . . . . 0.0 110.941 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -103.16 128.04 50.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.37 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -90.33 28.36 1.46 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.612 0.72 . . . . 0.0 109.377 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 82.4 t60 -91.01 75.87 6.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.856 -176.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.4 ' HB3' ' O ' ' A' ' 77' ' ' HIS . 36.1 p-80 175.86 147.54 0.09 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.579 175.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -118.5 138.25 52.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.559 -176.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 . . . . . 0 C--O 1.244 0.79 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.905 176.696 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.745 0.307 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.63 -14.63 58.66 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.214 0.531 . . . . 0.0 110.397 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -79.71 101.47 8.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.072 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -114.41 0.26 14.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.09 0.471 . . . . 0.0 110.31 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.461 ' HB2' ' OE1' ' B' ' 11' ' ' GLN . 12.6 p -90.79 168.76 11.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.514 175.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -113.53 7.17 17.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 56.77 41.64 27.85 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.968 172.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.0 p -69.5 155.74 39.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.478 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -65.47 -24.23 67.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 174.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -36.95 73.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.059 172.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.461 ' OE1' ' HB2' ' B' ' 5' ' ' SER . 49.8 tt0 -69.52 -48.12 61.52 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.979 0.418 . . . . 0.0 110.095 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.6 ' O ' HG21 ' B' ' 16' ' ' VAL . 59.8 tp -57.46 -52.47 65.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.469 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 30.8 p -58.54 -38.98 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.453 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.63 84.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.768 0.318 . . . . 0.0 110.994 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.57 -46.67 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.6 HG21 ' O ' ' B' ' 12' ' ' LEU . 0.7 OUTLIER -67.33 -36.16 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.157 0.503 . . . . 0.0 109.915 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -63.57 -32.65 74.18 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.707 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.75 ' O ' HG23 ' B' ' 22' ' ' VAL . 27.0 t0 -70.08 -40.54 74.93 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.21 -40.38 89.93 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.721 176.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.68 -42.14 93.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.262 0.554 . . . . 0.0 110.021 175.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.25 -29.35 68.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.625 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 18' ' ' ASP . 60.0 t -65.66 -42.67 93.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.298 0.57 . . . . 0.0 109.629 176.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.26 -43.16 99.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.66 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -73.95 -23.93 59.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -57.97 -52.48 65.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.762 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -93.66 -18.56 22.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.506 -177.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 mttm 61.76 90.03 0.07 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.726 0.641 . . . . 0.0 110.97 -173.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.09 122.99 26.81 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.388 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.12 163.4 16.93 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.56 2.173 . . . . 0.0 111.321 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.555 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 26.0 m -61.68 -17.5 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.668 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.501 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.0 m-20 -76.44 -58.87 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.998 0.427 . . . . 0.0 110.117 175.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.46 -40.6 97.57 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.536 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -64.98 -35.1 80.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.566 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.555 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 20.3 tp -67.12 -35.72 80.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.286 -178.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 31' ' ' ASP . 32.7 mt -65.05 -44.2 95.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.418 178.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.54 86.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.52 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.404 HD12 HD11 ' A' ' 37' ' ' LEU . 54.3 tp -60.84 -45.72 93.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.522 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.31 -44.4 98.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.005 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -59.31 -48.35 81.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.402 . . . . 0.0 110.074 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.424 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 27.9 ttt -64.68 -46.65 81.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.033 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.57 -46.55 83.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.664 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.7 m -58.3 -49.36 77.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.594 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -43.64 95.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.714 -177.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 40' ' ' MET . 68.9 mt -65.08 -47.41 77.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.853 0.359 . . . . 0.0 111.322 -178.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.67 -13.69 61.03 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.628 -175.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 31.3 p -101.56 4.0 40.59 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.249 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.4 p -128.55 -47.69 1.29 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.678 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.7 m -76.1 -45.17 35.21 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -173.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.494 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 35.0 m -99.41 156.63 35.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.561 -178.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 18.9 Cg_endo -60.9 130.33 32.46 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.737 2.291 . . . . 0.0 112.74 -177.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -12.02 58.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.194 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 11.0 t -85.17 -12.71 52.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.115 0.483 . . . . 0.0 110.573 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.486 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 8.4 tp-100 -126.52 4.33 6.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.405 0.621 . . . . 0.0 109.726 -177.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 42.4 t -60.17 -56.51 20.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.945 -172.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.495 ' HB3' HG21 ' A' ' 66' ' ' ILE . 1.9 mp0 -59.59 -42.26 92.15 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.789 0.328 . . . . 0.0 110.555 -176.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.09 -35.23 69.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.646 -175.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 6.6 tp -73.79 -45.88 48.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.448 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.33 98.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.614 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.53 -42.32 82.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.842 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.28 -46.08 91.08 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.313 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -61.29 -45.13 95.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 110.28 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.482 ' O ' HG12 ' B' ' 66' ' ' ILE . 20.1 m -64.65 -39.39 93.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.895 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.572 ' HA ' HG12 ' B' ' 66' ' ' ILE . 0.9 OUTLIER -67.03 -29.13 68.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.684 178.161 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.5 m -66.64 -36.07 81.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.962 0.41 . . . . 0.0 109.895 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.419 ' O ' HG21 ' B' ' 69' ' ' VAL . 9.6 mp -73.15 -27.5 61.7 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 175.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.572 HG12 ' HA ' ' B' ' 63' ' ' ASN . 52.1 mm -57.79 -46.24 87.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -61.27 -45.98 92.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.107 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.94 87.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.589 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.419 HG21 ' O ' ' B' ' 65' ' ' LEU . 54.6 t -56.41 -51.31 65.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 0.0 111.072 177.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -67.92 -27.0 66.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.022 0.439 . . . . 0.0 110.879 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 97.1 m -66.47 -32.76 74.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.023 0.44 . . . . 0.0 110.39 174.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -79.63 -36.54 37.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.061 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.76 -36.15 57.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.557 -177.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -98.14 112.31 24.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.716 0.293 . . . . 0.0 110.459 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -67.49 142.18 56.68 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -107.14 149.43 27.67 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.312 -171.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -67.49 108.83 2.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -58.48 112.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.066 -173.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -151.86 135.7 16.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.77 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.273 -0.87 . . . . 0.0 109.669 176.774 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 tpt . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.781 0.324 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' A' ' 4' ' ' HIS . . . -78.05 148.98 34.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.656 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -78.22 23.77 0.27 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.433 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.43 ' H ' ' C ' ' A' ' 2' ' ' ALA . 31.7 m170 65.45 91.57 0.08 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.22 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -75.71 69.78 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.269 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 6' ' ' LYS . 13.1 mmmm -90.11 1.59 56.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.704 -176.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 61.7 87.22 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.614 0.571 . . . . 0.0 110.746 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 t -77.57 108.85 11.05 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.79 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -60.1 -17.81 42.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.148 0.499 . . . . 0.0 109.697 172.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.77 -48.18 17.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.688 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.42 -40.05 74.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.395 0.616 . . . . 0.0 109.744 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.612 HD11 ' HB ' ' B' ' 35' ' ' ILE . 26.8 tp -53.69 -59.54 4.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.693 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.443 ' O ' HG11 ' A' ' 16' ' ' VAL . 2.9 m -75.75 -23.38 55.98 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.299 -171.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -37.37 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.453 HD12 ' HB1' ' B' ' 28' ' ' ALA . 53.6 mt -66.65 -47.01 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.207 176.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.703 ' HB ' ' HB1' ' B' ' 36' ' ' ALA . 9.3 p -72.53 -29.38 30.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.758 -178.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -70.27 -30.63 67.71 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.144 -0.347 . . . . 0.0 110.11 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.719 ' O ' HG22 ' A' ' 22' ' ' VAL . 19.5 t70 -69.16 -43.75 73.63 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.5 ttm -55.23 -38.03 67.95 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.777 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 16' ' ' VAL . 73.1 mt -64.63 -41.13 91.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.144 175.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . -64.95 -39.95 94.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.244 177.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 18' ' ' ASP . 24.4 t -56.23 -41.3 69.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.273 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.45 -49.11 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.853 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -61.72 -41.9 98.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.524 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 67.6 mttm -63.66 -36.52 84.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.418 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -90.61 -14.34 32.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.103 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 60.23 56.85 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.729 0.643 . . . . 0.0 110.612 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.59 127.29 55.11 Favored Pre-proline 0 N--CA 1.451 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.069 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.5 160.95 47.77 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.311 2.007 . . . . 0.0 111.259 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -57.86 -30.82 39.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.875 0.369 . . . . 0.0 110.221 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.557 ' O ' HG13 ' A' ' 35' ' ' ILE . 1.4 m-20 -57.89 -65.62 0.61 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.553 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.6 -34.34 72.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.324 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 t -65.6 -33.14 75.21 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.471 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tt -75.44 -36.66 60.7 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 31' ' ' ASP . 53.2 mt -68.31 -40.09 81.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.65 0.262 . . . . 0.0 110.474 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.63 93.03 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 174.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.13 -47.28 85.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.435 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.99 -48.93 83.46 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.509 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -62.14 -42.96 99.76 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.653 0.263 . . . . 0.0 110.749 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.6 tpt -67.54 -52.15 42.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -176.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.51 -46.48 70.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 111.17 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.6 t -62.99 -56.76 14.24 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.618 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -58.91 -46.0 88.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.67 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.53 -52.76 64.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.306 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.7 mt -72.43 -10.23 59.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.212 -175.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.479 HG21 ' HB2' ' B' ' 72' ' ' ARG . 32.0 p -109.42 3.74 21.73 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 176.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.4 p -130.51 -34.29 1.59 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.4 m -102.91 27.37 7.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.083 0.468 . . . . 0.0 111.513 -175.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.18 157.44 43.64 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.374 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.66 -69.05 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.993 2.462 . . . . 0.0 112.628 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -175.08 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.517 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.6 m -63.95 -27.49 69.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.277 0.56 . . . . 0.0 111.068 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.803 ' HB3' HD12 ' A' ' 57' ' ' LEU . 85.9 mt-30 -75.19 -5.74 46.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.384 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.4 t -55.04 -56.17 22.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.106 0.479 . . . . 0.0 110.801 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -77.91 -37.06 48.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.386 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.84 -50.14 75.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.119 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.803 HD12 ' HB3' ' A' ' 53' ' ' GLN . 9.1 mp -68.09 -35.83 78.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.47 77.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.744 0.307 . . . . 0.0 110.759 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.467 ' HG2' HD11 ' B' ' 66' ' ' ILE . 94.0 mt-30 -65.51 -44.25 87.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.53 87.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.786 0.327 . . . . 0.0 111.167 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.493 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 91.3 t80 -60.96 -48.32 82.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.115 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.578 ' HB2' ' CB ' ' B' ' 62' ' ' SER . 13.6 p -65.89 -43.2 88.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.529 -176.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.422 ' HA ' HG12 ' A' ' 66' ' ' ILE . 26.8 m-80 -67.21 -32.25 73.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.716 0.293 . . . . 0.0 111.104 177.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.5 t -63.67 -37.54 87.74 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 90.7 mt -61.82 -44.19 97.34 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.088 175.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 62' ' ' SER . 18.8 mm -55.8 -47.43 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.228 0.537 . . . . 0.0 109.984 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.408 HD21 ' HA ' ' A' ' 67' ' ' ASN . 10.9 m120 -62.47 -43.35 99.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.128 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.45 -46.56 89.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.86 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.431 ' HA ' ' CG2' ' B' ' 46' ' ' THR . 85.6 t -61.26 -48.16 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.627 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -62.68 -37.41 86.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.988 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.7 m -63.2 -46.16 88.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.625 0.25 . . . . 0.0 111.246 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -70.28 -37.88 74.93 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.889 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.9 -36.7 84.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.992 0.425 . . . . 0.0 110.675 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -61.35 -43.98 97.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.138 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -65.34 -12.81 55.61 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -175.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -95.5 94.07 7.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -104.31 173.97 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.299 0.571 . . . . 0.0 111.91 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.501 ' CE1' ' HB3' ' A' ' 80' ' ' HIS . 52.0 t-80 -157.09 102.35 1.96 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 174.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.79 73.48 7.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.108 0.48 . . . . 0.0 110.676 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 10.6 t-160 . . . . . 0 C--O 1.247 0.953 0 CA-C-N 114.85 -1.068 . . . . 0.0 108.558 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.53 -172.72 4.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -59.19 129.7 43.39 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -79.09 -26.44 42.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.377 -175.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 41.7 m -103.75 122.37 44.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 172.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -79.55 -9.02 59.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 56.62 36.79 28.16 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.161 0.288 . . . . 0.0 111.361 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 38.2 t -68.02 135.28 52.05 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 120.857 0.361 . . . . 0.0 111.141 -175.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.73 -26.52 65.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.228 171.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.46 -33.08 48.64 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.281 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -73.46 -39.27 65.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.265 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.645 ' O ' HG23 ' B' ' 16' ' ' VAL . 50.8 tp -61.84 -53.6 53.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.262 175.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 53.3 m -53.75 -36.11 61.97 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.364 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.87 81.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.716 0.293 . . . . 0.0 110.691 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 61.4 mt -64.62 -39.52 85.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.382 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.1 t -69.03 -34.81 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -66.76 -41.56 87.56 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.195 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.52 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.5 OUTLIER -54.63 -47.56 73.32 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.469 175.099 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.434 ' O ' ' HB2' ' B' ' 23' ' ' LEU . 52.0 ttm -54.92 -44.46 74.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.796 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.38 -44.17 77.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.067 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -64.26 -53.28 51.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.25 -178.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.551 HG12 HG21 ' A' ' 22' ' ' VAL . 43.3 t -63.13 -28.47 45.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-O 120.929 0.395 . . . . 0.0 110.32 -177.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.582 HD22 ' HG ' ' B' ' 33' ' ' SER . 18.8 tp -60.13 -47.26 86.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.121 174.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -73.99 -26.55 60.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.066 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 32.4 mmmt -66.84 -14.91 63.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 110.932 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -116.31 -9.47 11.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.026 0.441 . . . . 0.0 109.934 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.484 ' HA ' ' HD2' ' B' ' 27' ' ' LYS . 37.1 tptt 55.37 73.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.365 -177.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.453 ' HB1' HD12 ' A' ' 15' ' ' ILE . . . -97.55 123.99 50.19 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.257 177.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.82 160.08 49.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.842 2.362 . . . . 0.0 111.542 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.14 -39.57 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 123.182 0.301 . . . . 0.0 111.808 -176.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.496 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.8 p-10 -67.23 -52.4 41.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.408 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.17 -36.64 74.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.673 0.273 . . . . 0.0 111.142 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.582 ' HG ' HD22 ' B' ' 23' ' ' LEU . 35.8 t -61.28 -40.37 93.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.093 0.473 . . . . 0.0 109.99 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 tt -64.26 -40.17 95.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.313 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.612 ' HB ' HD11 ' A' ' 12' ' ' LEU . 39.0 mt -72.53 -45.3 59.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.96 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.703 ' HB1' ' HB ' ' A' ' 16' ' ' VAL . . . -52.73 -49.68 64.93 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.685 0.279 . . . . 0.0 110.589 171.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 23.5 tp -59.79 -37.51 79.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.196 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.41 -49.92 62.57 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.387 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -59.02 -40.67 85.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.673 0.273 . . . . 0.0 110.316 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.91 -56.89 15.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.259 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.27 -47.07 79.31 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.46 -178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 26.4 m -57.14 -55.77 30.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.761 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -66.87 -28.6 68.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.073 -175.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.92 -54.1 39.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 0.0 110.805 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.53 -16.9 61.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.199 0.523 . . . . 0.0 112.035 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.431 ' CG2' ' HA ' ' A' ' 69' ' ' VAL . 22.5 p -99.03 -1.82 38.76 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m -131.64 -40.86 1.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.266 -0.574 . . . . 0.0 112.442 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -85.02 -39.66 17.77 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -172.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 28.6 m -95.28 155.07 39.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.737 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -57.19 126.85 23.42 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.073 2.515 . . . . 0.0 112.492 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.582 ' HA ' ' SG ' ' B' ' 54' ' ' CYS . 32.9 mm-40 -76.0 -4.36 40.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.27 0.557 . . . . 0.0 111.218 -176.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' THR . . . . . 0.503 HG22 ' HG3' ' B' ' 53' ' ' GLN . 9.9 t -77.95 -16.44 58.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.237 175.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.503 ' HG3' HG22 ' B' ' 52' ' ' THR . 79.1 mt-30 -135.86 6.7 3.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.343 -177.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . 0.582 ' SG ' ' HA ' ' B' ' 51' ' ' GLN . 19.8 p -64.19 -43.58 94.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.349 -175.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -65.99 -34.74 78.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.211 0.529 . . . . 0.0 110.127 -177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.81 -48.74 52.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.69 -37.08 86.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.238 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.89 85.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.933 0.396 . . . . 0.0 110.327 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -66.14 -39.0 89.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.179 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.44 -48.35 64.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.559 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.401 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 37.4 t80 -56.89 -46.42 81.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.861 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.578 ' CB ' ' HB2' ' A' ' 62' ' ' SER . 11.8 p -62.26 -55.34 29.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.426 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -60.14 -35.46 75.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.522 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 19.5 t -64.16 -41.17 97.26 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.481 ' O ' HG21 ' B' ' 69' ' ' VAL . 61.7 mt -67.03 -32.75 74.18 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.563 HG12 ' O ' ' B' ' 62' ' ' SER . 44.0 mm -59.78 -49.02 85.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.049 0.452 . . . . 0.0 110.054 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -67.57 -33.45 75.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.365 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.67 90.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.745 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.481 HG21 ' O ' ' B' ' 65' ' ' LEU . 55.3 t -58.16 -48.27 85.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 111.014 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -57.58 -41.16 80.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.698 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 25.8 m -72.35 -39.71 67.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.998 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.479 ' HB2' HG21 ' A' ' 46' ' ' THR . 26.8 mmt180 -57.99 -53.63 56.02 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.802 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.8 tp -64.76 -49.59 70.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.655 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -86.75 74.54 9.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.309 0.576 . . . . 0.0 110.947 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -123.52 140.78 52.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.691 174.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -90.37 13.96 14.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.513 0.673 . . . . 0.0 109.473 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -132.52 142.51 49.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.684 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -125.54 116.35 21.63 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.835 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -91.35 131.24 36.97 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.311 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.395 -0.812 . . . . 0.0 109.378 177.452 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.891 0.377 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.61 92.43 9.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.991 0.424 . . . . 0.0 110.608 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -89.31 70.15 8.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 63.6 23.62 13.65 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.917 -176.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 p -79.6 70.97 6.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.547 0.689 . . . . 0.0 110.481 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -112.04 -36.81 5.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.466 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -140.5 90.42 2.35 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.191 -173.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.6 m -128.12 132.64 48.95 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.471 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.29 -32.16 62.18 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.48 -35.98 65.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.863 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -71.24 -43.75 66.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.964 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.631 ' O ' HG21 ' A' ' 16' ' ' VAL . 61.8 tp -61.92 -56.24 21.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.801 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.5 p -57.27 -36.27 70.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.469 -175.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.51 89.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.806 0.336 . . . . 0.0 110.762 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.46 -44.16 96.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.233 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.631 HG21 ' O ' ' A' ' 12' ' ' LEU . 1.9 t -69.02 -37.35 77.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.312 . . . . 0.0 110.381 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -70.17 -29.58 66.5 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.994 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.607 ' O ' HG21 ' A' ' 22' ' ' VAL . 4.2 m-20 -62.09 -47.13 86.0 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 173.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.5 mmt -53.92 -43.11 69.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 110.948 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.59 -47.68 82.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.847 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . -63.7 -53.52 50.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.294 -177.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' ' 18' ' ' ASP . 61.8 t -56.59 -36.32 47.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.631 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.2 tp -57.92 -50.3 73.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.826 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.36 -42.17 72.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.167 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 29.1 mtpp -62.77 -37.7 87.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.393 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -80.82 -9.48 59.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.217 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm 60.46 55.58 3.42 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.429 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -96.61 132.74 25.7 Favored Pre-proline 0 N--CA 1.45 -0.456 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 175.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.564 ' HD2' ' HB3' ' A' ' 32' ' ' LEU . 17.9 Cg_exo -66.85 154.21 75.34 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.496 2.131 . . . . 0.0 110.789 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.559 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 49.1 t -56.49 -38.39 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.048 0.451 . . . . 0.0 111.304 -175.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' O ' HG13 ' A' ' 35' ' ' ILE . 10.2 p-10 -76.8 -40.41 48.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.902 -175.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB3' ' HD2' ' A' ' 29' ' ' PRO . 38.1 tp -70.9 -32.93 70.04 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.8 t -63.75 -41.1 98.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.425 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 91.4 mt -61.35 -37.25 82.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.464 177.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 31' ' ' ASP . 62.4 mt -64.6 -44.29 96.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.745 176.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.01 -51.09 70.69 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.866 0.365 . . . . 0.0 110.21 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.7 tp -57.57 -42.29 82.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.44 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.86 -50.79 63.85 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.328 -0.463 . . . . 0.0 112.597 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -65.07 -36.84 85.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.482 0.182 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.8 ttt -68.47 -47.15 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.687 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.25 95.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.846 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.9 m -57.38 -45.58 84.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.92 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -58.2 -49.2 77.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.796 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.3 mt -70.24 -36.87 74.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.141 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 tp -74.02 -13.19 60.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.449 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.2 p -109.59 9.13 25.21 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.263 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.8 m -140.27 -45.51 0.42 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -174.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.7 m -99.52 -9.73 22.95 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -166.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.669 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 24.6 m -97.56 167.75 11.28 Favored Pre-proline 0 C--N 1.323 -0.582 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.574 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.669 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 12.4 Cg_endo -56.01 108.95 0.37 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.557 2.172 . . . . 0.0 111.209 174.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.441 ' HG3' HD21 ' B' ' 73' ' ' LEU . 3.8 tp-100 -68.0 -32.84 73.51 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.088 -169.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -81.35 -12.47 59.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.174 0.511 . . . . 0.0 111.168 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -122.87 17.88 10.17 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.568 ' HB2' HG12 ' B' ' 69' ' ' VAL . 5.5 p -53.96 -52.32 61.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.336 -173.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.68 -40.67 84.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.431 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.47 -44.99 77.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.967 0.413 . . . . 0.0 111.009 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.86 -34.25 71.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.242 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.49 81.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.641 0.258 . . . . 0.0 110.67 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -66.79 -35.81 80.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.019 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.99 85.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.003 0.43 . . . . 0.0 110.459 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.03 -45.17 93.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.949 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.695 ' O ' HG12 ' A' ' 66' ' ' ILE . 41.2 t -56.07 -59.51 4.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.539 177.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.05 -38.46 57.1 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.249 0.343 . . . . 0.0 111.717 -178.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 m -60.72 -45.84 92.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.738 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.508 HD13 HD13 ' B' ' 45' ' ' LEU . 4.3 mm? -72.92 -31.32 64.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.993 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.695 HG12 ' O ' ' A' ' 62' ' ' SER . 38.0 mm -63.69 -33.0 59.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -76.97 -25.91 53.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.08 -48.55 70.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 172.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.9 t -62.19 -39.6 84.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.863 174.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 2.8 tppp? -53.62 -43.42 68.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.57 175.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.5 m -70.44 -26.5 63.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.202 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -35.93 65.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.5 mt -72.68 -24.92 61.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.599 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.0 126.8 30.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.99 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -157.13 20.28 0.3 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.962 -174.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -81.57 84.25 6.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.22 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -136.76 -37.07 0.68 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.208 0.528 . . . . 0.0 110.267 174.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -138.7 92.73 2.65 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -75.62 -51.18 13.4 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.847 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.4 m80 . . . . . 0 C--O 1.243 0.753 0 CA-C-O 118.508 -0.758 . . . . 0.0 109.024 174.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.92 0.391 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.6 -173.15 3.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.503 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -69.26 -59.8 2.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.075 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 42.9 t60 57.07 23.79 8.86 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.439 0.638 . . . . 0.0 111.175 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -121.78 101.08 7.35 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.243 0.544 . . . . 0.0 111.542 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -98.51 71.14 1.99 Allowed 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 66.6 47.61 1.59 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.497 -1.228 . . . . 0.0 110.237 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 41.8 t -59.17 122.55 14.1 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.778 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -68.26 -13.37 62.21 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.45 -36.19 15.57 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.775 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.432 ' O ' HG13 ' B' ' 15' ' ' ILE . 7.2 tp60 -70.73 -40.9 72.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.605 ' O ' HG21 ' B' ' 16' ' ' VAL . 54.6 tp -58.78 -59.08 6.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.621 178.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 45.7 p -54.13 -45.82 72.03 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 123.34 0.4 . . . . 0.0 111.553 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.95 71.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.49 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.432 HG13 ' O ' ' B' ' 11' ' ' GLN . 81.1 mt -74.51 -49.4 31.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.835 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.605 HG21 ' O ' ' B' ' 12' ' ' LEU . 0.8 OUTLIER -66.67 -35.06 73.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.19 0.519 . . . . 0.0 109.84 -178.616 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.84 -43.17 99.5 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.945 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.764 ' O ' HG23 ' B' ' 22' ' ' VAL . 34.2 t70 -67.91 -43.16 79.89 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -177.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 61.4 mtt -54.27 -42.69 70.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.595 0.236 . . . . 0.0 111.377 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.83 -43.03 89.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.649 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' B' ' 25' ' ' LYS . . . -62.54 -38.11 88.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 178.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.764 HG23 ' O ' ' B' ' 18' ' ' ASP . 44.7 t -67.66 -41.61 85.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.112 0.482 . . . . 0.0 109.962 177.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.3 tp -57.93 -56.52 20.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.731 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.434 ' HG3' ' HD2' ' B' ' 27' ' ' LYS . 35.8 tt0 -75.51 -8.47 56.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.979 0.419 . . . . 0.0 110.905 -177.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' B' ' 21' ' ' ALA . 33.7 ttmt -67.78 -29.15 68.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -99.73 -18.35 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.238 172.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.434 ' HD2' ' HG3' ' B' ' 24' ' ' GLU . 39.8 tptt 61.29 89.46 0.08 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.584 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.26 135.82 19.9 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.201 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.564 ' HD2' ' HB3' ' B' ' 32' ' ' LEU . 27.3 Cg_exo -62.06 158.94 36.51 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.584 2.189 . . . . 0.0 111.311 175.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.44 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 33.4 m -56.14 -29.45 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.343 . . . . 0.0 111.757 -178.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.412 ' O ' HG13 ' B' ' 35' ' ' ILE . 15.9 t70 -76.99 -52.51 9.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.731 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.564 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 35.7 tp -62.37 -40.23 95.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.014 0.435 . . . . 0.0 110.438 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -65.4 -32.31 73.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.518 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 13.7 tp -67.39 -34.04 76.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.003 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 31' ' ' ASP . 38.5 mt -69.24 -44.18 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.297 177.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.42 98.84 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.31 175.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.43 -45.01 96.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.132 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.92 -51.77 56.52 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.241 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -60.47 -38.05 82.97 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.759 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.44 ' HE3' HD23 ' B' ' 44' ' ' LEU . 13.7 tpt -66.97 -48.1 69.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.2 87.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.748 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 27.1 t -59.37 -44.34 92.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.221 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -58.54 -51.79 68.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.587 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.44 HD23 ' HE3' ' B' ' 40' ' ' MET . 4.6 mm? -58.51 -46.18 87.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.561 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.508 HD13 HD13 ' A' ' 65' ' ' LEU . 91.8 mt -77.31 -12.19 59.92 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -173.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 20.4 p -100.96 -14.66 17.79 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.303 -0.559 . . . . 0.0 112.083 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 75.5 p -127.32 -37.26 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -174.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 11.9 m -112.15 25.49 11.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -164.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.451 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 35.4 m -127.28 161.63 53.21 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 177.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 12.6 Cg_endo -57.62 111.36 0.81 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.327 2.018 . . . . 0.0 110.737 173.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -60.78 -24.62 65.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -170.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 20.9 p -90.53 -46.75 8.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.085 0.469 . . . . 0.0 111.634 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -91.8 16.12 11.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.968 -176.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 6.6 p -55.95 -43.48 77.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.066 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.45 -39.86 92.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.995 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.04 -55.74 20.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.894 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.15 -40.67 94.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.622 -176.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.95 -49.33 78.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 111.096 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -79.36 -26.26 42.1 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.094 -177.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.6 90.11 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 174.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.431 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 65.4 t80 -62.62 -42.39 99.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.188 176.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.572 ' O ' HG12 ' B' ' 66' ' ' ILE . 49.1 m -59.08 -57.1 14.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -60.13 -33.05 71.62 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.783 -0.189 . . . . 0.0 111.306 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 70.1 m -62.29 -41.52 98.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.463 ' O ' HG21 ' B' ' 69' ' ' VAL . 95.5 mt -63.31 -46.44 86.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.393 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.572 HG12 ' O ' ' B' ' 62' ' ' SER . 14.3 mm -57.64 -49.29 81.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 121.058 0.456 . . . . 0.0 110.166 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -63.71 -41.38 98.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.902 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.69 68.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.984 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.568 HG12 ' HB2' ' A' ' 54' ' ' CYS . 60.1 t -62.86 -46.74 95.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.714 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.89 -37.6 74.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.259 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 50.8 m -76.47 -39.27 53.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.765 0.317 . . . . 0.0 111.229 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -65.64 -45.82 81.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.662 0.267 . . . . 0.0 111.137 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.441 HD21 ' HG3' ' A' ' 51' ' ' GLN . 10.8 mp -74.06 -41.85 61.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.793 0.33 . . . . 0.0 110.299 177.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 62.68 16.53 8.99 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.214 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -70.85 -50.66 32.85 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -83.48 96.04 8.47 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 170.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -84.88 39.12 0.74 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.415 0.626 . . . . 0.0 110.716 -173.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -89.08 33.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -152.23 139.72 19.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.984 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 84.3 t60 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.783 179.219 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.74 80.82 1.87 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.235 0.54 . . . . 0.0 110.406 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.401 ' H ' ' HG3' ' A' ' 3' ' ' GLN . 1.1 pp0? -90.96 47.33 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.492 0.663 . . . . 0.0 111.336 -177.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -59.2 -50.09 75.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.405 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p -113.43 80.2 1.34 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.298 177.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -91.37 1.3 57.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.996 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.7 t80 63.05 87.02 0.11 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.711 177.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.725 ' HB2' ' HG3' ' A' ' 11' ' ' GLN . 18.1 m -124.98 144.59 50.3 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.07 -176.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.12 -34.6 68.52 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 170.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.97 94.89 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.38 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.725 ' HG3' ' HB2' ' A' ' 8' ' ' SER . 45.9 mt-30 -68.57 -46.67 68.81 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.077 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.676 ' O ' HG22 ' A' ' 16' ' ' VAL . 63.3 tp -61.03 -59.25 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.861 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -56.31 -39.35 72.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.552 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.43 96.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.754 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.0 mt -69.16 -49.27 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.203 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 12' ' ' LEU . 2.0 t -63.98 -45.61 96.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.95 0.405 . . . . 0.0 110.647 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -66.41 -34.91 79.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.663 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -71.71 -37.87 70.58 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.405 ' HA ' HG23 ' A' ' 22' ' ' VAL . 53.0 tpp -62.36 -45.77 91.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.66 177.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.5 mt -62.61 -38.95 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.114 0.483 . . . . 0.0 110.29 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.84 -52.63 55.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.103 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.405 HG23 ' HA ' ' A' ' 19' ' ' MET . 33.2 m -67.47 -24.64 31.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.649 0.261 . . . . 0.0 110.96 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.18 -38.27 89.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 110.093 175.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.561 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 1.8 tm-20 -66.18 -43.25 87.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.972 178.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 3.7 mptp? -75.19 -21.65 58.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.063 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.37 -34.24 55.09 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 171.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 48.2 mttp 56.95 75.34 0.37 Allowed 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.959 -175.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.47 106.03 43.03 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.16 173.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.97 165.41 16.6 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.522 2.148 . . . . 0.0 111.845 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p -51.11 -29.91 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.621 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' O ' HG13 ' A' ' 35' ' ' ILE . 3.9 m-20 -60.89 -68.89 0.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.191 0.519 . . . . 0.0 110.513 176.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -66.23 -36.77 83.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.366 -175.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.3 t -63.17 -42.0 99.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.387 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.22 -38.97 92.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.301 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 31' ' ' ASP . 44.7 mt -68.61 -41.37 82.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.87 0.367 . . . . 0.0 110.694 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.97 -48.93 78.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.515 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.13 -29.01 69.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.585 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.49 -52.11 51.44 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.07 176.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -63.88 -36.66 84.66 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.072 0.463 . . . . 0.0 110.764 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -66.52 -48.1 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.589 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.08 -55.55 33.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.569 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.7 p -58.76 -46.96 86.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.699 0.285 . . . . 0.0 110.9 -176.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -57.19 -54.1 50.56 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.924 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.94 -43.26 96.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.636 -177.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.499 ' O ' HG22 ' A' ' 49' ' ' VAL . 83.7 mt -59.81 -26.48 65.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.737 0.303 . . . . 0.0 111.255 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.2 p -96.39 16.05 19.6 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.9 t -147.67 -20.48 0.37 Allowed 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.0 p -99.23 -41.31 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.862 -0.524 . . . . 0.0 111.835 -176.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.751 HG21 ' H ' ' A' ' 51' ' ' GLN . 4.8 m -76.99 171.63 11.9 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -176.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 51.3 Cg_exo -56.46 -11.74 7.02 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.26 2.64 . . . . 0.0 113.739 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.751 ' H ' HG21 ' A' ' 49' ' ' VAL . 48.9 tt0 75.35 -55.32 0.63 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.762 0.825 . . . . 0.0 111.752 173.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.9 m -66.65 -23.52 66.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.259 0.552 . . . . 0.0 110.959 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.481 ' HG2' ' HB3' ' A' ' 56' ' ' ALA . 8.0 tt0 -119.21 22.28 11.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.724 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.7 t -55.79 -46.94 77.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.518 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.588 ' HG3' HG22 ' B' ' 66' ' ' ILE . 35.1 tt0 -62.31 -41.06 98.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.382 -175.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.481 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . . . -66.61 -39.58 88.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.84 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.51 -37.99 86.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.697 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.37 88.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.818 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.96 -36.92 83.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.158 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.97 86.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.881 0.372 . . . . 0.0 110.547 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -64.95 -42.08 94.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.647 ' O ' HG12 ' A' ' 66' ' ' ILE . 48.5 t -56.64 -55.64 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.7 177.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -56.3 -35.76 67.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.618 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.2 t -63.76 -40.05 95.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.837 0.351 . . . . 0.0 110.232 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 69' ' ' VAL . 92.5 mt -67.51 -45.39 75.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.187 177.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.647 HG12 ' O ' ' A' ' 62' ' ' SER . 17.4 mm -56.98 -48.3 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.821 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -56.59 -44.11 80.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.062 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.31 84.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.074 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 65' ' ' LEU . 91.2 t -60.99 -49.08 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.481 ' HD2' HG23 ' A' ' 66' ' ' ILE . 29.1 mtpp -59.16 -39.63 83.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.288 -178.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.2 m -70.19 -28.45 65.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.355 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 72' ' ' ARG . 35.7 ttt-85 -87.89 -42.6 12.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.942 0.401 . . . . 0.0 111.149 -178.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.39 -1.01 57.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.444 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -34.51 108.68 0.07 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.82 0.848 . . . . 0.0 113.096 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -99.27 134.29 42.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 172.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -84.86 78.92 9.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.577 0.703 . . . . 0.0 111.101 -173.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -129.9 110.59 11.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.741 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -82.09 76.9 8.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.432 ' O ' ' HB3' ' A' ' 80' ' ' HIS . 47.0 t-80 69.83 154.32 0.12 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.483 -169.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.432 ' HB3' ' O ' ' A' ' 79' ' ' HIS . 55.8 t-80 . . . . . 0 C--O 1.246 0.918 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.763 ' HE1' ' HA ' ' B' ' 1' ' ' MET . 2.9 tpt . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.9 7.98 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.244 0.545 . . . . 0.0 110.883 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -97.72 132.72 43.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.616 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.414 ' C ' ' H ' ' B' ' 6' ' ' LYS . 17.4 t60 -87.25 -22.04 25.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.403 0.621 . . . . 0.0 109.369 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.555 ' HA ' ' HG2' ' B' ' 11' ' ' GLN . 7.4 m -81.65 29.4 0.38 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.693 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' B' ' 4' ' ' HIS . 60.3 pttt -79.41 39.42 0.4 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.526 -176.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 60.57 79.0 0.26 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.255 0.55 . . . . 0.0 110.055 -173.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' B' ' 11' ' ' GLN . 12.9 t -122.96 136.47 54.87 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.989 -178.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.37 -26.26 67.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.02 -38.46 44.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.335 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.555 ' HG2' ' HA ' ' B' ' 5' ' ' SER . 24.1 tp60 -63.76 -46.31 85.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.831 175.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.661 ' O ' HG22 ' B' ' 16' ' ' VAL . 53.0 tp -60.47 -55.52 32.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.802 -179.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 67.1 m -51.73 -44.42 63.26 Favored 'General case' 0 C--O 1.226 -0.16 0 O-C-N 123.428 0.455 . . . . 0.0 111.676 -176.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.18 90.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.566 0.222 . . . . 0.0 111.386 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.408 HG13 ' O ' ' B' ' 11' ' ' GLN . 75.7 mt -68.13 -45.85 82.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.675 0.274 . . . . 0.0 110.691 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.661 HG22 ' O ' ' B' ' 12' ' ' LEU . 2.1 t -69.0 -38.07 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -63.25 -36.97 85.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.815 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.77 ' O ' HG23 ' B' ' 22' ' ' VAL . 35.4 t70 -68.13 -43.93 77.24 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 25.9 mmt -54.79 -44.46 73.77 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.406 0.441 . . . . 0.0 110.961 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.8 mt -60.87 -40.45 85.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.343 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.27 -42.84 83.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.947 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.77 HG23 ' O ' ' B' ' 18' ' ' ASP . 47.7 t -56.89 -42.43 78.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 121.011 0.434 . . . . 0.0 110.488 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.17 -41.84 89.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.808 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -71.62 -43.15 66.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.39 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -64.49 -42.28 95.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.043 0.449 . . . . 0.0 111.197 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -87.0 -17.72 32.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.49 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.59 ' HZ3' ' HB3' ' B' ' 27' ' ' LYS . 8.9 mtpm? 52.11 46.76 26.06 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.417 0.448 . . . . 0.0 111.402 -177.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.83 124.63 90.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.79 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' B' ' 31' ' ' ASP . 36.7 Cg_exo -54.65 142.89 71.32 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.49 2.127 . . . . 0.0 111.696 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.58 ' O ' HD21 ' B' ' 34' ' ' LEU . 31.2 m -68.93 5.38 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.506 0.669 . . . . 0.0 111.266 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.534 ' O ' HG13 ' B' ' 35' ' ' ILE . 21.0 t70 -92.82 -57.8 2.54 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.547 172.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.21 -29.83 48.55 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.989 -174.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 20.6 p -62.56 -38.14 88.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.946 0.403 . . . . 0.0 110.134 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.58 HD21 ' O ' ' B' ' 30' ' ' VAL . 4.2 mm? -74.75 -32.42 62.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.673 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.534 HG13 ' O ' ' B' ' 31' ' ' ASP . 73.6 mt -65.53 -48.41 82.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 120.724 0.297 . . . . 0.0 110.301 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.482 ' CB ' HG23 ' A' ' 16' ' ' VAL . . . -55.8 -42.26 75.35 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.721 173.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.17 -46.54 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.821 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.72 -44.33 98.06 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.096 -0.574 . . . . 0.0 112.331 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -57.74 -48.97 78.1 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.008 0.433 . . . . 0.0 110.401 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.407 ' O ' HD23 ' B' ' 44' ' ' LEU . 56.2 ttp -67.16 -43.45 82.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.803 -177.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.84 83.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.98 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.7 m -57.47 -48.57 78.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.962 0.41 . . . . 0.0 110.983 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -63.37 -40.38 97.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.407 HD23 ' O ' ' B' ' 40' ' ' MET . 4.3 mm? -70.98 -41.95 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.465 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -68.91 -20.54 64.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.747 0.308 . . . . 0.0 111.756 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.2 p -101.01 13.05 36.48 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.462 -0.495 . . . . 0.0 112.003 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.3 p -139.82 -48.68 0.46 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.3 m -94.52 -10.46 32.14 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -167.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.658 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 21.1 m -120.28 164.45 22.65 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.658 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 10.0 Cg_endo -53.93 102.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.727 2.285 . . . . 0.0 112.032 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.508 ' HA ' ' HB3' ' B' ' 54' ' ' CYS . 4.0 pt20 -78.98 -0.65 31.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.724 -173.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 24.9 p -87.19 -24.52 24.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.348 0.594 . . . . 0.0 110.236 175.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -117.56 22.65 12.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . 0.508 ' HB3' ' HA ' ' B' ' 51' ' ' GLN . 4.9 p -48.97 -48.21 43.39 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.824 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.63 -45.27 94.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.627 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.52 73.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.494 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.17 -42.21 99.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.238 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.87 -43.71 98.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.944 0.402 . . . . 0.0 110.98 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -69.74 -37.36 76.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.61 87.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.775 0.321 . . . . 0.0 111.098 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -63.93 -43.69 95.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.768 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.599 ' O ' HG12 ' B' ' 66' ' ' ILE . 8.5 p -66.92 -43.07 84.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.229 -178.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -59.82 -33.02 71.21 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.809 0.337 . . . . 0.0 111.043 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 31.1 m -66.45 -39.48 88.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.948 0.404 . . . . 0.0 110.03 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.477 ' O ' HG22 ' B' ' 69' ' ' VAL . 98.7 mt -65.84 -35.61 81.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.495 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.599 HG12 ' O ' ' B' ' 62' ' ' SER . 40.2 mm -58.06 -41.85 81.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 121.382 0.611 . . . . 0.0 110.128 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.84 -37.64 86.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.349 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.22 85.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.18 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.477 HG22 ' O ' ' B' ' 65' ' ' LEU . 86.3 t -58.21 -46.53 88.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.903 0.382 . . . . 0.0 110.184 175.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' B' ' 74' ' ' GLU . 64.3 mttp -62.41 -38.33 89.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.86 177.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 40.1 m -60.46 -33.77 73.04 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 111.239 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -80.59 -37.54 31.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.074 0.464 . . . . 0.0 110.34 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 52.1 tp -66.57 -35.6 80.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.106 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' B' ' 70' ' ' LYS . 47.3 mt-10 -74.75 108.75 7.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.483 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -80.37 -7.43 59.09 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.329 0.585 . . . . 0.0 109.688 170.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -79.84 -29.14 40.04 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 170.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 72.01 2.58 4.36 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.453 -1.249 . . . . 0.0 113.384 165.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . 0.423 ' O ' ' HB3' ' B' ' 79' ' ' HIS . 3.2 m80 54.4 86.06 0.05 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -171.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' B' ' 78' ' ' HIS . 27.6 t60 72.48 98.37 0.07 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.931 -166.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.55 -0.738 . . . . 0.0 110.206 -175.534 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.787 ' HG3' ' H ' ' A' ' 2' ' ' ALA . 10.4 tpt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.787 ' H ' ' HG3' ' A' ' 1' ' ' MET . . . -62.16 106.24 0.7 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.06 0.457 . . . . 0.0 111.229 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.71 130.07 49.53 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 -178.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -83.54 58.88 4.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.982 0.42 . . . . 0.0 111.313 -174.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 t 61.29 -177.05 0.12 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.523 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -118.27 40.39 3.2 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 122.16 -0.337 . . . . 0.0 110.984 -173.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.1 t80 59.32 81.76 0.16 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.356 0.598 . . . . 0.0 110.318 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.401 ' HB3' ' CB ' ' A' ' 11' ' ' GLN . 42.0 t -107.85 144.22 35.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.93 -175.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -70.66 -22.16 62.52 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.38 -33.48 37.16 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 57.7 tt0 -62.3 -46.14 90.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.385 173.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.588 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.4 tm? -57.18 -52.18 66.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.952 174.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -56.06 -40.87 74.19 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.296 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.85 78.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.797 0.332 . . . . 0.0 111.241 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.7 mt -72.2 -44.37 64.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.6 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.8 t -64.48 -38.49 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -56.38 -42.25 77.58 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.975 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.736 ' O ' HG22 ' A' ' 22' ' ' VAL . 6.8 t0 -62.45 -57.98 9.28 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.2 ttp -53.25 -44.96 68.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.778 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.0 mt -60.71 -45.57 97.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 110.452 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.37 -34.17 77.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.495 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 18' ' ' ASP . 60.1 t -66.68 -42.55 89.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.082 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.411 HD21 ' HE3' ' B' ' 40' ' ' MET . 9.4 mp -68.03 -35.53 78.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.595 178.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -65.33 -26.67 68.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.192 0.52 . . . . 0.0 109.724 174.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -75.32 -24.82 57.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.745 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -98.42 -34.52 10.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.957 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 tptm 57.46 78.62 0.22 Allowed 'General case' 0 CA--C 1.531 0.22 0 O-C-N 123.915 0.759 . . . . 0.0 111.37 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.86 143.69 26.81 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.158 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.23 38.62 0.55 Allowed 'Trans proline' 0 N--CA 1.477 0.528 0 C-N-CA 123.258 2.639 . . . . 0.0 114.235 -172.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.5 t 71.89 -52.23 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.604 0.762 . . . . 0.0 112.153 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.85 -59.73 4.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.137 0.494 . . . . 0.0 110.695 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD23 HD12 ' A' ' 35' ' ' ILE . 97.1 mt -66.35 -28.06 68.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.15 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -62.97 -39.24 94.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.978 0.418 . . . . 0.0 110.097 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -71.53 -38.43 71.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.81 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.466 HD12 HD23 ' A' ' 32' ' ' LEU . 54.1 mt -64.52 -43.15 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.668 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.429 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.51 -46.55 89.72 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.262 176.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.0 -41.49 87.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.715 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.8 -53.26 47.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.226 -0.512 . . . . 0.0 112.242 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 93.3 m-20 -61.04 -40.95 95.54 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.83 0.348 . . . . 0.0 110.719 178.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.9 ttt -64.65 -54.0 38.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.42 -177.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.51 84.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.375 -176.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 t -63.81 -40.57 96.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.542 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 24.3 t-20 -59.81 -45.71 91.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.823 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.54 -37.21 76.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.956 0.407 . . . . 0.0 111.098 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.3 mt -75.93 -13.4 60.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.668 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.411 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 18.8 p -107.59 8.68 29.31 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.741 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.7 p -126.44 -46.0 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.8 t -87.47 -56.23 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.72 -172.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.482 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 29.0 m -76.12 162.84 69.96 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.716 -177.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.527 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . 78.2 Cg_exo -47.17 119.65 3.66 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.984 2.456 . . . . 0.0 112.416 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.903 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 79.8 mt-30 -70.86 -21.09 62.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.969 -172.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 p -83.34 -14.56 52.64 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.629 0.728 . . . . 0.0 110.554 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.527 ' HB2' ' HB2' ' A' ' 50' ' ' PRO . 78.2 mt-30 -106.57 4.7 28.37 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.083 178.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.903 ' SG ' ' HA ' ' A' ' 51' ' ' GLN . 68.1 m -53.5 -45.55 69.72 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.363 0.414 . . . . 0.0 111.225 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.14 -44.99 90.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.94 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.11 76.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.217 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -68.58 -37.05 79.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.925 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.25 -44.68 95.99 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -59.67 -44.76 93.45 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.745 175.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.7 98.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -64.12 -55.26 23.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.649 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.639 ' O ' HG12 ' A' ' 66' ' ' ILE . 74.6 p -62.35 -46.57 88.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.183 -175.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -61.63 -30.9 71.01 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -65.93 -36.74 84.2 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 69' ' ' VAL . 4.1 mm? -71.99 -39.75 69.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.692 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.639 HG12 ' O ' ' A' ' 62' ' ' SER . 26.4 mm -60.51 -46.2 95.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.05 0.452 . . . . 0.0 109.853 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -63.08 -34.22 77.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.816 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.6 98.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.301 176.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 65' ' ' LEU . 89.5 t -62.19 -41.39 91.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.367 176.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 66' ' ' ILE . 73.9 mmtt -59.83 -41.99 92.57 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.409 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.8 m -72.21 -32.75 67.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.877 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -78.46 -15.89 58.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.133 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.7 tp -86.8 -51.44 6.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.073 0.463 . . . . 0.0 110.294 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -82.06 121.12 26.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.255 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -115.81 -98.42 0.45 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.365 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -100.12 145.69 27.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.842 0.353 . . . . 0.0 110.502 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -84.09 108.64 17.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.563 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -103.85 -43.12 5.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.645 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -79.72 14.09 1.85 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.061 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 . . . . . 0 C--O 1.242 0.705 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.335 178.742 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' B' ' 1' ' ' MET . 1.8 mpt? . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.56 -84.22 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.903 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -107.51 90.02 3.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.219 0.533 . . . . 0.0 112.406 -169.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -149.29 -9.83 0.32 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.373 170.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 4.8 p -66.17 -47.95 72.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.681 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.46 ' O ' HD11 ' A' ' 32' ' ' LEU . 90.9 mttt -61.36 -41.43 97.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.577 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -103.68 62.39 0.77 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.534 0.683 . . . . 0.0 111.29 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 63.2 m -92.07 107.42 19.19 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.024 172.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -63.4 -14.58 51.86 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.47 -39.1 67.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.736 ' HA ' HE21 ' B' ' 11' ' ' GLN . 0.0 OUTLIER -69.09 -42.26 76.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.489 175.743 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.659 ' O ' HG21 ' B' ' 16' ' ' VAL . 42.4 tp -58.52 -54.18 49.91 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.605 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.3 m -53.33 -42.93 67.25 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 123.375 0.422 . . . . 0.0 111.242 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.62 88.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.115 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 60.6 mt -73.89 -46.31 46.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.355 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.659 HG21 ' O ' ' B' ' 12' ' ' LEU . 2.4 t -65.68 -39.54 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.028 0.442 . . . . 0.0 110.316 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -66.75 -33.82 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.737 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.742 ' O ' HG22 ' B' ' 22' ' ' VAL . 22.8 t70 -72.28 -34.72 68.39 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 56.1 mtt -58.63 -42.07 87.45 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 123.484 0.49 . . . . 0.0 110.945 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.98 -40.41 88.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.226 0.536 . . . . 0.0 109.874 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.91 -30.35 71.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.746 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.742 HG22 ' O ' ' B' ' 18' ' ' ASP . 47.0 t -62.61 -47.28 93.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.127 175.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.06 -40.75 94.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.463 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.74 -37.96 73.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.486 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.439 ' HZ3' ' CG ' ' A' ' 18' ' ' ASP . 28.8 ttpp -61.85 -43.48 98.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.43 -177.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -96.71 -2.17 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.805 0.336 . . . . 0.0 110.189 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp 55.6 76.54 0.27 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.547 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.59 118.47 45.16 Favored Pre-proline 0 N--CA 1.449 -0.517 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.688 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.7 165.56 30.48 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.231 1.954 . . . . 0.0 110.316 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.458 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 34.2 m -58.6 -29.62 39.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -174.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.457 ' O ' HG13 ' B' ' 35' ' ' ILE . 2.9 m-20 -56.43 -65.04 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.529 0.68 . . . . 0.0 110.071 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 mt -68.11 -33.76 75.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.867 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.495 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 43.5 t -62.91 -43.21 99.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.962 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' B' ' 30' ' ' VAL . 82.9 mt -66.98 -38.42 86.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.508 0.194 . . . . 0.0 110.757 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 31' ' ' ASP . 57.6 mt -64.17 -45.12 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.384 177.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.461 ' HA ' HG21 ' A' ' 16' ' ' VAL . . . -57.26 -44.92 84.34 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 176.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 33' ' ' SER . 93.5 mt -62.52 -42.17 99.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.416 177.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.66 -44.21 98.13 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.135 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -46.52 89.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.813 0.339 . . . . 0.0 110.476 178.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.542 ' HE2' HD23 ' B' ' 44' ' ' LEU . 15.8 tpt -64.03 -42.19 97.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.923 -178.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.09 91.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.669 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -62.78 -48.94 76.99 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.111 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -54.32 -47.63 72.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.979 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.542 HD23 ' HE2' ' B' ' 40' ' ' MET . 78.5 mt -63.02 -49.08 76.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.47 -178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.83 -12.17 61.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 20.8 p -105.02 1.24 28.43 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.06 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -135.13 -43.57 0.72 Allowed 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -178.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.4 m -89.98 9.71 26.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.951 0.405 . . . . 0.0 111.737 -170.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.6 HG12 HD13 ' B' ' 57' ' ' LEU . 34.2 m -98.58 147.8 33.66 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.34 -67.11 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.681 2.254 . . . . 0.0 111.85 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -170.46 -89.07 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.001 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -71.71 -11.51 60.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.339 0.59 . . . . 0.0 110.82 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -81.46 4.25 21.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.479 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . 0.407 ' HB3' HG22 ' B' ' 49' ' ' VAL . 11.2 p -57.55 -44.26 85.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.33 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -54.19 -53.35 54.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.232 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.37 86.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.522 -176.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.6 HD13 HG12 ' B' ' 49' ' ' VAL . 86.1 mt -71.98 -36.21 69.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.409 -176.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.17 -50.35 66.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 110.642 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.426 ' OE1' HD11 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -67.36 -31.94 72.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.044 178.472 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.7 83.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.902 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.87 -40.19 87.81 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.024 0.44 . . . . 0.0 110.101 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.717 ' O ' HG12 ' B' ' 66' ' ' ILE . 43.7 t -60.84 -64.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.638 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.72 -43.25 80.42 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.904 -172.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 69.2 p -63.11 -38.73 92.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.809 0.338 . . . . 0.0 110.84 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 tt -71.02 -39.84 72.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.832 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.717 HG12 ' O ' ' B' ' 62' ' ' SER . 20.2 mm -61.11 -46.54 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-O 121.252 0.548 . . . . 0.0 109.95 177.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . 0.414 ' HA ' ' HB2' ' B' ' 70' ' ' LYS . 61.5 t30 -63.79 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.757 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.252 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.0 -44.42 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.824 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' B' ' 67' ' ' ASN . 23.8 mmtm -54.89 -39.66 68.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.584 176.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 37.1 m -76.39 -26.79 55.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.515 -177.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -78.15 -39.68 40.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 0.0 110.019 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 53.6 tp -71.99 -46.58 56.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.25 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -102.24 97.81 8.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -46.75 125.65 7.53 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.825 0.703 . . . . 0.0 112.523 -171.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -61.75 124.18 20.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.938 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -71.61 155.81 40.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.167 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -121.73 71.26 0.97 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 8.4 t60 68.51 -65.71 0.26 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.409 -170.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 . . . . . 0 C--O 1.243 0.762 0 CA-C-O 118.378 -0.82 . . . . 0.0 109.284 175.399 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tmm? . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.45 -27.21 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.922 0.391 . . . . 0.0 110.56 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -78.37 104.12 8.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.401 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -68.17 92.76 0.41 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.653 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -147.58 113.7 5.84 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.177 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -81.67 -80.58 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -92.54 -53.33 4.24 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 172.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.491 ' HB3' ' CB ' ' A' ' 11' ' ' GLN . 40.0 t -174.06 120.72 0.28 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.247 169.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -69.84 -19.9 63.44 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.44 -35.92 46.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.518 175.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.491 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 59.8 tt0 -64.35 -38.83 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.958 174.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 16' ' ' VAL . 63.0 tp -58.25 -54.77 43.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.474 177.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -35.42 64.91 Favored 'General case' 0 C--O 1.226 -0.137 0 O-C-N 123.069 0.231 . . . . 0.0 111.426 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.53 92.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 0.0 110.655 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.8 mt -64.18 -43.3 97.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.026 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.5 t -71.62 -27.57 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.174 0.512 . . . . 0.0 110.134 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -72.24 -35.29 68.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.454 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.728 ' O ' HG22 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -63.33 -42.26 98.94 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.371 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.528 ' HE3' HD21 ' B' ' 23' ' ' LEU . 22.9 mmt -51.6 -47.65 63.51 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.412 0.445 . . . . 0.0 110.809 176.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.93 -41.89 87.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.65 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.553 ' O ' ' HD3' ' A' ' 25' ' ' LYS . . . -66.0 -52.2 51.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.604 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 18' ' ' ASP . 48.4 t -54.9 -40.59 53.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.807 -178.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.416 HD13 ' HB3' ' A' ' 28' ' ' ALA . 37.2 tp -67.54 -38.79 84.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.015 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.26 -42.63 65.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.812 -174.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 2.4 mptm? -55.02 -56.29 21.44 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.881 0.372 . . . . 0.0 111.761 -176.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -79.03 -18.1 54.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 tttp 56.08 77.12 0.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.382 -175.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' HB3' HD13 ' A' ' 23' ' ' LEU . . . -99.04 120.15 59.11 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.182 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.15 162.69 31.9 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.545 2.163 . . . . 0.0 111.868 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.8 m -55.34 -27.21 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.787 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.506 ' O ' HG13 ' A' ' 35' ' ' ILE . 6.9 m-20 -64.59 -65.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.94 0.4 . . . . 0.0 110.525 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.5 mt -67.17 -34.0 76.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.415 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.437 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 39.2 t -63.69 -42.16 98.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.695 0.283 . . . . 0.0 110.528 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.43 -40.26 89.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.1 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 31' ' ' ASP . 49.3 mt -65.92 -41.73 90.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.5 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.443 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.04 -48.17 82.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.447 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 33' ' ' SER . 99.0 mt -62.29 -41.65 98.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.533 177.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.91 -49.62 73.87 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.436 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -60.13 -43.23 95.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.976 0.417 . . . . 0.0 110.612 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.429 ' O ' HD11 ' A' ' 44' ' ' LEU . 54.3 ttp -65.73 -51.37 59.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.059 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.21 -46.96 87.07 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.558 ' HB3' HD22 ' B' ' 65' ' ' LEU . 16.2 p -61.07 -46.26 91.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 110.479 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.63 -47.15 85.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.595 176.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.429 HD11 ' O ' ' A' ' 40' ' ' MET . 4.8 mp -57.98 -49.03 78.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.722 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 97.4 mt -63.9 -30.93 71.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.337 -177.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 p -96.88 11.14 36.92 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.937 -177.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.4 m -134.52 -46.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.425 ' HB3' HG12 ' B' ' 30' ' ' VAL . 17.5 m -82.81 -58.76 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.699 0.285 . . . . 0.0 111.764 -172.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.588 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 28.8 m -84.71 169.81 15.46 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -178.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.684 ' HB2' ' HB3' ' A' ' 53' ' ' GLN . 79.2 Cg_exo -48.7 117.95 3.06 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.63 2.22 . . . . 0.0 111.724 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -53.67 -43.62 69.03 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -169.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -16.55 30.53 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -176.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.684 ' HB3' ' HB2' ' A' ' 50' ' ' PRO . 59.5 tt0 -94.0 -3.98 50.44 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.354 0.597 . . . . 0.0 109.488 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 18.6 p -70.89 -30.05 66.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.205 -175.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.589 ' HG3' HG21 ' B' ' 66' ' ' ILE . 32.4 tt0 -62.44 -37.7 86.89 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.909 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.34 94.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.227 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.86 -40.21 91.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.214 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.79 97.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.812 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -67.06 -37.84 84.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 175.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.41 98.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.501 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -62.83 -38.2 89.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.166 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.651 ' O ' HG12 ' A' ' 66' ' ' ILE . 33.2 t -58.29 -57.77 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.141 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -56.58 -33.13 65.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.264 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.5 m -65.44 -41.23 93.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.254 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.448 ' O ' HG21 ' A' ' 69' ' ' VAL . 92.5 mt -67.92 -39.81 83.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.536 176.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.651 HG12 ' O ' ' A' ' 62' ' ' SER . 23.3 mm -59.98 -42.92 91.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -62.86 -40.0 96.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.611 175.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.26 90.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.611 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.521 HG11 ' HB3' ' B' ' 55' ' ' GLU . 92.7 t -59.38 -47.48 90.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.436 176.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -56.24 -47.98 77.4 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.759 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.7 m -67.56 -19.83 65.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.088 0.47 . . . . 0.0 111.331 -176.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -82.99 -39.57 21.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.948 0.404 . . . . 0.0 110.773 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.9 mt -93.55 -25.59 17.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.987 -175.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -97.6 102.45 14.21 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.101 0.477 . . . . 0.0 109.973 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -97.73 125.87 42.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.314 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -100.03 -156.18 0.54 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.335 -175.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 61.56 39.01 15.17 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.138 0.494 . . . . 0.0 109.7 -177.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -64.77 113.04 3.52 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 121.51 0.672 . . . . 0.0 109.614 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -88.5 -23.62 23.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.91 -172.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.231 -178.715 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.52 -49.1 79.1 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 121.087 0.47 . . . . 0.0 110.124 175.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -73.67 130.4 39.93 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 170.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -93.12 102.29 14.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.263 0.554 . . . . 0.0 111.66 -173.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -97.64 -53.63 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.291 176.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -135.55 79.76 1.8 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.649 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 29.71 78.27 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.497 1.123 . . . . 0.0 113.062 173.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.473 ' HB2' ' HG2' ' B' ' 11' ' ' GLN . 58.8 m -59.17 126.28 27.05 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.573 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.56 -20.72 61.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 171.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.19 -35.9 66.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.637 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.473 ' HG2' ' HB2' ' B' ' 8' ' ' SER . 75.3 mm-40 -67.22 -49.29 65.06 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.691 176.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.66 ' O ' HG21 ' B' ' 16' ' ' VAL . 52.0 tp -59.45 -56.07 26.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.007 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 72.1 p -57.8 -40.86 80.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.365 -174.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.92 -42.99 85.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.906 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.29 -53.86 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.983 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.66 HG21 ' O ' ' B' ' 12' ' ' LEU . 2.1 t -63.47 -43.25 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.783 0.325 . . . . 0.0 111.217 -173.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -72.17 -31.99 66.43 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.296 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.73 ' O ' HG21 ' B' ' 22' ' ' VAL . 22.2 t70 -72.45 -42.25 65.2 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 53.1 mtt -54.18 -46.95 72.49 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.471 0.482 . . . . 0.0 110.866 176.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 16' ' ' VAL . 77.0 mt -54.09 -45.96 66.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.991 0.424 . . . . 0.0 110.401 176.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.93 -37.86 85.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.373 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.73 HG21 ' O ' ' B' ' 18' ' ' ASP . 46.7 t -69.35 -38.2 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.699 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.528 HD21 ' HE3' ' A' ' 19' ' ' MET . 4.0 mm? -66.57 -44.21 82.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.714 0.292 . . . . 0.0 110.283 176.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -58.96 -38.53 79.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.431 0.634 . . . . 0.0 109.655 174.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 17.7 tppt? -57.99 -32.63 68.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.292 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -93.11 -14.52 27.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.039 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt 54.47 44.73 28.37 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 123.481 0.488 . . . . 0.0 110.825 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.9 123.9 83.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.342 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.37 158.93 37.96 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.296 1.997 . . . . 0.0 111.38 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.425 HG12 ' HB3' ' A' ' 48' ' ' SER . 33.1 m -63.07 -17.42 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.994 0.426 . . . . 0.0 111.013 -178.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.542 ' O ' HG13 ' B' ' 35' ' ' ILE . 18.1 t70 -68.78 -63.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.51 177.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.86 -33.08 71.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.797 -174.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 16.5 p -65.38 -38.72 90.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.799 0.333 . . . . 0.0 111.021 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 68.5 mt -72.68 -32.64 65.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.798 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.542 HG13 ' O ' ' B' ' 31' ' ' ASP . 62.3 mt -67.0 -39.07 82.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.834 0.35 . . . . 0.0 110.212 176.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.414 ' CB ' HG21 ' A' ' 16' ' ' VAL . . . -59.46 -46.87 87.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.113 174.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.81 -40.29 92.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.303 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.82 -53.81 42.32 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.422 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -60.25 -42.52 95.47 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.714 0.292 . . . . 0.0 111.009 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.9 ttt -62.42 -50.12 72.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.034 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.94 96.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.523 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 40.6 m -60.01 -49.24 78.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.22 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.32 -35.63 81.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.004 0.431 . . . . 0.0 110.388 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.64 -52.31 58.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.86 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.435 HD11 ' HB1' ' B' ' 58' ' ' ALA . 96.5 mt -65.07 -26.0 68.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.928 -175.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 15.9 p -89.38 -1.42 58.05 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.4 p -128.19 -44.7 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 17.0 m -89.09 -21.14 23.55 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -169.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.556 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 34.9 m -121.42 166.38 16.43 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.556 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 84.5 Cg_exo -48.06 119.82 4.29 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.941 2.428 . . . . 0.0 112.676 177.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.86 -31.38 72.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.892 -175.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' THR . . . . . 0.509 HG21 ' HG3' ' B' ' 53' ' ' GLN . 12.4 t -86.19 -5.94 59.09 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.386 -177.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.509 ' HG3' HG21 ' B' ' 52' ' ' THR . 24.4 mt-30 -126.45 6.0 6.93 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.739 -177.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 17.7 p -67.62 -31.4 71.4 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.732 -177.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.521 ' HB3' HG11 ' A' ' 69' ' ' VAL . 10.4 pt-20 -63.9 -34.58 78.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.992 0.425 . . . . 0.0 110.518 176.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.43 -44.31 71.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.303 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.86 -40.43 87.87 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.101 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.435 ' HB1' HD11 ' B' ' 45' ' ' LEU . . . -62.05 -45.5 93.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.104 0.478 . . . . 0.0 110.624 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -64.15 -40.58 96.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.292 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.25 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.146 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 80.3 t80 -55.65 -43.72 76.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.079 0.466 . . . . 0.0 110.191 178.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.684 ' O ' HG12 ' B' ' 66' ' ' ILE . 47.3 t -61.86 -51.38 68.45 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.64 176.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -55.42 -42.95 74.83 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.759 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 50.8 m -59.06 -38.14 78.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.569 177.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 42' ' ' SER . 80.4 mt -73.54 -38.58 65.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.684 HG12 ' O ' ' B' ' 62' ' ' SER . 49.2 mm -54.76 -49.32 69.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.448 0.642 . . . . 0.0 110.359 178.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -70.36 -32.25 69.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.702 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.25 86.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.734 0.302 . . . . 0.0 110.625 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 65' ' ' LEU . 75.5 t -57.49 -51.51 68.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.027 0.442 . . . . 0.0 109.844 174.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -58.71 -34.27 71.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.766 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 61.9 m -67.21 -34.15 76.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.556 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -87.6 -37.93 16.38 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.172 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 89.7 mt -78.54 -11.86 59.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.926 0.393 . . . . 0.0 111.332 -178.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -71.42 150.65 44.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.49 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -77.32 73.4 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.958 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -67.49 -67.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.252 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -144.2 -50.89 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.899 0.38 . . . . 0.0 111.12 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -125.0 154.15 41.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.506 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -144.34 -32.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.442 -0.79 . . . . 0.0 109.676 176.253 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.11 98.22 0.1 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.457 0.539 . . . . 0.0 112.457 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -121.94 -50.46 2.05 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 170.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -87.55 145.21 26.32 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 171.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m 60.62 52.95 4.24 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.485 0.66 . . . . 0.0 109.275 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -81.21 58.95 3.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.984 -173.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 60.9 42.62 12.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.837 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 p -59.87 113.38 2.26 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.635 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.11 -14.39 47.95 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.93 -45.8 40.06 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.367 176.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 15' ' ' ILE . 22.0 mt-30 -76.88 -34.27 57.78 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.621 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.5 tp -60.15 -59.84 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.24 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 m -59.68 -32.3 70.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.202 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 17' ' ' ASN . . . -58.79 -45.78 89.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.575 0.226 . . . . 0.0 110.913 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.408 HG21 ' HE2' ' A' ' 19' ' ' MET . 70.2 mt -65.73 -47.98 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -66.22 -23.67 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.056 0.455 . . . . 0.0 109.888 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 14' ' ' ALA . 25.2 t-20 -66.21 -50.9 62.27 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.068 177.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.771 ' O ' HG22 ' A' ' 22' ' ' VAL . 4.5 p30 -75.88 -22.17 56.41 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.622 -177.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.408 ' HE2' HG21 ' A' ' 15' ' ' ILE . 56.0 mtt -56.96 -43.49 81.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.894 0.378 . . . . 0.0 110.127 169.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.14 -44.7 92.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.82 175.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . -60.93 -37.84 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.109 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.771 HG22 ' O ' ' A' ' 18' ' ' ASP . 43.2 t -61.74 -41.51 90.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-O 121.118 0.485 . . . . 0.0 110.224 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.87 -38.79 92.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.831 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.6 -21.93 59.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.75 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 63.0 mttp -75.65 -24.95 56.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.709 0.29 . . . . 0.0 111.336 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -110.26 -33.59 6.61 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.098 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 53.04 78.11 0.15 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.359 0.664 . . . . 0.0 112.427 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.5 148.74 35.64 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.833 176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD2' HD13 ' A' ' 32' ' ' LEU . 65.6 Cg_endo -73.26 43.31 0.72 Allowed 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.23 2.62 . . . . 0.0 113.979 -175.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.3 t 72.96 -54.78 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 123.659 0.784 . . . . 0.0 112.078 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.494 ' O ' HG13 ' A' ' 35' ' ' ILE . 23.6 t70 -61.02 -54.63 42.47 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.57 -176.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.487 HD22 HD12 ' A' ' 35' ' ' ILE . 97.8 mt -59.16 -32.03 69.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.152 177.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 m -63.99 -41.99 97.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.122 0.487 . . . . 0.0 110.172 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 99.3 mt -70.55 -30.53 67.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.73 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 31' ' ' ASP . 60.7 mt -68.6 -40.51 81.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.49 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.43 -43.79 96.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 110.091 175.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' B' ' 37' ' ' LEU . 52.3 tp -66.08 -39.74 90.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.444 177.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.62 -43.45 99.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.296 -0.478 . . . . 0.0 112.448 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -60.19 -42.65 95.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.413 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.5 ttt -63.85 -48.07 78.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.596 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.29 -51.3 67.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.011 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.6 m -59.08 -45.42 90.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.862 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -60.32 -55.48 33.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.303 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.12 -40.09 92.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.736 -175.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.2 mt -69.36 -30.2 68.16 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -177.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.1 p -93.88 4.71 53.52 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.9 -177.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.0 p -126.85 -47.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.7 m -83.99 -45.01 13.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.734 0.302 . . . . 0.0 111.689 -171.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.7 m -101.88 164.77 15.18 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.346 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.47 127.66 26.32 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.222 1.948 . . . . 0.0 111.635 175.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.562 ' HB3' HD23 ' B' ' 73' ' ' LEU . 25.0 mp0 -60.37 -37.36 80.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.977 -176.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.7 t -75.37 -14.13 60.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.133 0.492 . . . . 0.0 111.058 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.449 ' HG3' HD22 ' A' ' 57' ' ' LEU . 6.0 tp-100 -102.33 -27.17 12.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.872 -175.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.1 p -61.96 -29.81 70.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.552 -175.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.76 -43.94 90.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.967 0.413 . . . . 0.0 110.722 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.25 -44.6 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.61 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.449 HD22 ' HG3' ' A' ' 53' ' ' GLN . 4.4 mm? -63.7 -46.96 83.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.336 -179.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.73 97.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 110.975 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -64.58 -45.06 88.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.329 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.33 97.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.897 178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.503 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 44.4 t80 -60.91 -45.42 94.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.146 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.573 ' O ' HG12 ' A' ' 66' ' ' ILE . 25.4 m -64.29 -46.78 82.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -62.14 -33.77 75.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.311 . . . . 0.0 110.986 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -67.29 -35.52 79.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.542 ' O ' HG21 ' A' ' 69' ' ' VAL . 87.2 mt -67.32 -36.83 82.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.056 174.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 62' ' ' SER . 39.2 mm -58.23 -44.71 88.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.219 0.533 . . . . 0.0 109.683 175.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -62.96 -37.36 86.8 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.618 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.05 -40.66 91.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.605 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.542 HG21 ' O ' ' A' ' 65' ' ' LEU . 94.4 t -59.22 -46.21 92.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.515 176.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 66' ' ' ILE . 63.6 mttm -54.85 -46.13 74.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.095 0.474 . . . . 0.0 109.733 176.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.0 m -67.44 -26.83 66.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.272 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.521 ' HG3' HG22 ' B' ' 46' ' ' THR . 13.7 mmt180 -73.86 -41.48 62.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.791 0.329 . . . . 0.0 110.603 176.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.3 mp -68.66 -40.17 80.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 70' ' ' LYS . 44.9 mm-40 -70.31 -67.27 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.344 0.592 . . . . 0.0 110.157 176.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -87.64 70.09 9.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.768 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -80.73 148.35 30.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.305 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.7 13.97 1.17 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 112.164 -170.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.6 m170 69.02 -71.92 0.11 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.409 0.684 . . . . 0.0 110.449 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -102.43 -176.93 3.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.803 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 . . . . . 0 C--O 1.242 0.707 0 CA-C-O 119.018 -0.515 . . . . 0.0 109.925 177.792 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.247 0.546 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.07 120.07 6.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.197 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -100.07 -35.4 9.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.78 0.324 . . . . 0.0 111.266 -176.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -105.24 14.65 28.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.64 0.257 . . . . 0.0 111.595 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -103.43 97.96 7.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.146 0.498 . . . . 0.0 110.532 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -132.47 14.29 4.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.021 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 64.65 80.01 0.24 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.085 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.48 ' HB2' ' HB3' ' B' ' 11' ' ' GLN . 16.2 m -93.28 118.32 31.13 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.37 -26.06 51.58 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.53 -37.99 55.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.936 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.48 ' HB3' ' HB2' ' B' ' 8' ' ' SER . 34.3 tt0 -73.08 -43.87 61.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.992 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.6 ' O ' HG21 ' B' ' 16' ' ' VAL . 51.8 tp -61.69 -51.76 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.714 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 27.0 p -57.23 -40.98 78.63 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.956 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.67 -39.53 77.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.686 0.279 . . . . 0.0 111.341 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.52 -53.53 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.212 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.6 HG21 ' O ' ' B' ' 12' ' ' LEU . 1.2 t -70.28 -33.04 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 111.208 -174.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -69.12 -43.37 74.58 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.754 ' O ' HG21 ' B' ' 22' ' ' VAL . 27.0 t70 -65.73 -42.17 91.34 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.446 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 10.5 tpt -47.57 -50.57 23.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.247 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 16' ' ' VAL . 70.7 mt -63.41 -43.63 98.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -62.56 -38.61 90.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.708 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.754 HG21 ' O ' ' B' ' 18' ' ' ASP . 61.5 t -60.79 -43.39 95.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.375 176.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 19' ' ' MET . 91.5 mt -69.31 -25.54 64.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.285 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -78.63 -32.0 47.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.697 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 99.1 mttt -64.17 -40.18 95.58 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.19 0.519 . . . . 0.0 110.441 175.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -85.0 -20.46 30.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.627 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 tptp 60.03 80.08 0.22 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.778 -176.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.13 120.71 60.75 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.913 177.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.04 33.62 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.178 2.585 . . . . 0.0 113.801 -172.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.427 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 71.8 t 70.1 -53.32 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 123.574 0.749 . . . . 0.0 111.929 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -55.12 -65.96 0.49 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.171 0.588 . . . . 0.0 111.235 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.418 HD13 HD12 ' B' ' 35' ' ' ILE . 4.0 mm? -60.8 -26.72 67.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.371 176.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -68.24 -41.23 81.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.776 0.322 . . . . 0.0 110.16 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.608 HD23 HD23 ' B' ' 37' ' ' LEU . 93.8 mt -64.41 -37.97 89.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.418 HD12 HD13 ' B' ' 32' ' ' LEU . 55.7 mt -66.46 -39.22 83.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.516 176.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.37 -49.03 75.46 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.997 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.608 HD23 HD23 ' B' ' 34' ' ' LEU . 4.6 pp -69.46 -25.42 64.08 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.627 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.2 -47.49 71.87 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.448 173.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -60.66 -41.98 96.1 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.048 0.451 . . . . 0.0 110.013 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.452 ' HE2' HG12 ' A' ' 16' ' ' VAL . 54.0 tpp -60.19 -52.16 66.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.915 177.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.88 -46.55 74.79 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.125 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 24.6 m -56.07 -54.63 42.74 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.878 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.45 -49.28 77.89 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.232 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 63.4 mt -60.1 -43.04 95.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.918 0.39 . . . . 0.0 111.292 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.548 ' HB3' ' SG ' ' B' ' 54' ' ' CYS . 89.7 mt -72.74 -14.36 61.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.866 -178.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.521 HG22 ' HG3' ' A' ' 72' ' ' ARG . 19.8 p -110.61 -0.16 17.35 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.096 -0.641 . . . . 0.0 112.689 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 77.5 p -125.61 -28.81 3.24 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 21.6 m -107.78 -43.25 4.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -171.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.866 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 23.5 m -90.68 174.28 4.73 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.866 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 19.9 Cg_endo -60.9 101.6 0.18 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.0 1.8 . . . . 0.0 111.565 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -30.68 71.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.08 -177.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 12.3 t -75.08 -11.76 60.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -123.33 10.43 9.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.191 0.52 . . . . 0.0 109.92 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . 0.548 ' SG ' ' HB3' ' B' ' 45' ' ' LEU . 40.1 t -57.82 -40.2 79.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.274 -173.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -55.79 -46.64 77.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.023 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.26 -46.38 83.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.274 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.9 -47.98 78.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.295 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.71 83.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.12 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -68.47 -32.64 72.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.005 0.431 . . . . 0.0 110.617 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.01 -46.54 51.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.631 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -59.26 -45.33 91.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.598 ' O ' HG12 ' B' ' 66' ' ' ILE . 6.8 p -62.96 -56.85 13.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.751 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -58.74 -41.4 86.36 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 68.6 m -66.16 -34.66 78.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.997 0.427 . . . . 0.0 110.518 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.413 ' O ' HG22 ' B' ' 69' ' ' VAL . 41.5 tp -64.79 -38.7 91.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.331 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.598 HG12 ' O ' ' B' ' 62' ' ' SER . 28.3 mm -59.61 -41.77 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.191 0.52 . . . . 0.0 109.926 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -65.64 -36.77 84.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.287 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.5 99.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.666 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.413 HG22 ' O ' ' B' ' 65' ' ' LEU . 98.3 t -57.15 -47.82 83.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.433 175.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -61.6 -33.4 73.84 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.128 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 22.4 m -74.2 -15.04 61.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.395 0.617 . . . . 0.0 110.761 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -87.64 -26.61 22.94 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 176.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.562 HD23 ' HB3' ' A' ' 51' ' ' GLN . 4.6 mm? -90.77 -31.18 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.022 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -98.31 141.08 31.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.949 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -75.38 116.42 16.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.088 0.471 . . . . 0.0 111.058 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -73.11 144.02 47.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.028 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -140.69 134.76 30.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.356 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -121.77 -49.92 2.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.536 -171.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -82.72 143.79 30.66 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 27.0 m80 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.761 179.677 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 121.238 0.542 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.49 -16.65 59.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.586 177.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -84.38 100.58 11.38 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.866 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -149.87 39.76 0.79 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.032 0.444 . . . . 0.0 110.38 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -124.72 174.99 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.139 0.495 . . . . 0.0 111.281 -177.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -178.55 -67.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -107.75 -72.34 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 161.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.523 ' HB2' ' HG2' ' A' ' 11' ' ' GLN . 74.2 m -165.54 109.17 0.83 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.419 -1.264 . . . . 0.0 108.311 172.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -66.89 -21.5 66.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.55 82.43 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.655 174.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.523 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 27.7 mm-40 -61.5 -49.31 77.26 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.698 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.4 tp -57.16 -60.94 2.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.796 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -54.34 -41.67 69.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.886 -175.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.76 98.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 11' ' ' GLN . 69.1 mt -68.27 -46.57 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.239 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.2 t -63.04 -39.66 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -64.79 -38.58 91.47 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.105 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.72 ' O ' HG22 ' A' ' 22' ' ' VAL . 38.1 t70 -63.76 -50.59 68.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -43.95 64.47 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.344 0.402 . . . . 0.0 111.415 178.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 16' ' ' VAL . 80.7 mt -62.99 -47.01 94.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.689 0.281 . . . . 0.0 110.81 178.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.93 99.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.978 0.418 . . . . 0.0 111.033 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.72 HG22 ' O ' ' A' ' 18' ' ' ASP . 45.4 t -66.18 -37.98 80.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.289 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 33' ' ' SER . 63.5 tp -63.18 -48.3 78.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.21 176.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.92 -35.54 78.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.314 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -61.45 -29.55 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.854 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -89.49 -18.41 26.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.142 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.662 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER 62.58 32.2 16.54 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.665 178.173 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.16 120.91 82.97 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.85 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.88 175.84 3.44 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.767 2.311 . . . . 0.0 112.008 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.78 -20.58 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-O 121.076 0.465 . . . . 0.0 111.135 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.635 ' O ' HG12 ' A' ' 35' ' ' ILE . 2.4 m-20 -68.74 -73.51 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.137 0.494 . . . . 0.0 110.112 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.0 -36.67 70.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.598 -174.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.443 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 20.4 p -63.04 -44.08 96.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.689 0.281 . . . . 0.0 110.95 -177.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.92 -28.87 64.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.056 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.635 HG12 ' O ' ' A' ' 31' ' ' ASP . 24.1 mm -65.15 -48.08 85.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.451 ' CB ' HG23 ' B' ' 16' ' ' VAL . . . -60.46 -45.65 92.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.713 177.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 33' ' ' SER . 90.1 mt -63.79 -35.16 79.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.86 -42.08 99.75 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.089 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.99 -41.98 85.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.096 0.474 . . . . 0.0 110.024 177.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.5 ttt -64.45 -46.47 82.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.243 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.67 -51.21 70.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.467 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 p -65.23 -41.13 94.69 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 120.911 0.386 . . . . 0.0 111.167 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -60.44 -42.56 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.296 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.99 -44.75 75.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 94.4 mt -62.58 -18.62 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 111.595 -177.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.427 ' CG2' HG11 ' B' ' 69' ' ' VAL . 8.9 p -103.98 9.25 36.68 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.071 177.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.8 m -134.77 -47.4 0.74 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -175.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.5 p -91.74 -29.33 16.87 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -169.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.6 m -105.99 152.52 40.33 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.06 123.39 13.73 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.4 2.067 . . . . 0.0 111.705 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -60.0 -21.96 61.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.631 -176.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.6 m -76.45 -26.6 55.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.078 0.466 . . . . 0.0 110.949 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -114.62 7.58 16.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.136 0.493 . . . . 0.0 110.384 -174.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.4 p -58.23 -40.93 82.98 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.394 -175.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 59' ' ' GLN . 43.8 tt0 -61.84 -34.96 76.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.667 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.0 69.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.634 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.97 -50.21 74.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.177 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.09 -30.77 70.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.108 0.48 . . . . 0.0 111.24 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.538 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 2.0 tt0 -76.44 -31.26 57.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.44 -178.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.7 -40.56 55.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.52 176.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -57.83 -46.42 84.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.526 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.696 ' O ' HG12 ' A' ' 66' ' ' ILE . 4.1 p -65.97 -45.11 82.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.069 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -55.0 -39.42 69.04 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.695 0.283 . . . . 0.0 111.496 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.0 m -60.88 -44.13 97.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.31 0.576 . . . . 0.0 110.028 176.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.576 ' O ' HG21 ' A' ' 69' ' ' VAL . 96.4 mt -65.1 -39.23 92.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.012 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.696 HG12 ' O ' ' A' ' 62' ' ' SER . 28.4 mm -61.61 -37.75 78.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 120.914 0.388 . . . . 0.0 110.426 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.0 -36.36 84.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.519 176.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.24 85.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.191 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.576 HG21 ' O ' ' A' ' 65' ' ' LEU . 51.5 t -63.39 -38.07 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.294 176.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.89 -42.11 79.28 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.6 176.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.2 m -66.06 -32.68 74.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.816 0.341 . . . . 0.0 110.738 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.761 ' NH1' ' HA ' ' B' ' 46' ' ' THR . 24.6 mmm-85 -59.36 -53.65 55.8 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.428 0.633 . . . . 0.0 110.168 173.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.0 mt -67.31 -50.28 60.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.374 -176.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -128.98 100.73 5.77 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.476 0.655 . . . . 0.0 111.832 -175.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -77.28 98.83 5.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.169 174.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -78.84 163.11 25.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.377 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -79.67 87.74 5.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.065 0.46 . . . . 0.0 110.972 -173.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -102.55 95.31 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.586 175.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -166.63 118.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.459 -176.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 75.2 t60 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.248 -0.882 . . . . 0.0 109.705 178.165 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.421 ' SD ' ' N ' ' B' ' 1' ' ' MET . 1.7 mpt? . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.652 0.263 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.49 89.69 7.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.997 0.427 . . . . 0.0 110.817 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -117.15 -3.21 11.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.576 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -126.27 132.21 51.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.772 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -65.6 112.67 3.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 110.325 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -123.12 13.67 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.403 0.62 . . . . 0.0 110.135 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 60.16 37.74 20.59 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.518 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -64.26 146.97 53.46 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.822 -178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.17 -25.94 68.05 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 172.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.47 -31.63 37.28 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.399 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -70.36 -45.73 65.51 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 109.123 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.652 ' O ' HG22 ' B' ' 16' ' ' VAL . 61.5 tp -62.13 -53.6 53.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.858 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 74.5 p -55.9 -38.32 70.06 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.669 0.271 . . . . 0.0 110.845 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.66 -48.72 76.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.371 176.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 67.3 mt -66.56 -48.08 81.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.547 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.652 HG22 ' O ' ' B' ' 12' ' ' LEU . 3.3 t -63.46 -45.49 97.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -69.23 -25.53 64.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.944 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.714 ' O ' HG21 ' B' ' 22' ' ' VAL . 18.7 t0 -70.46 -45.68 65.29 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 177.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 64.6 mtt -57.43 -38.29 74.14 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.005 176.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 16' ' ' VAL . 68.7 mt -61.81 -39.95 85.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.181 176.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.28 75.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.452 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.714 HG21 ' O ' ' B' ' 18' ' ' ASP . 27.6 t -57.21 -49.18 80.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.28 0.562 . . . . 0.0 109.776 175.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.44 -43.45 98.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.751 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -69.41 -26.23 64.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.958 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -64.07 -36.04 82.71 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.155 0.502 . . . . 0.0 110.258 176.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -85.56 -32.76 21.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.221 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.4 tttp 56.62 67.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.829 -168.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -79.57 128.98 73.09 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.021 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.543 ' HD2' ' HB2' ' B' ' 32' ' ' LEU . 31.2 Cg_exo -58.99 160.16 19.34 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.731 2.287 . . . . 0.0 111.711 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 32.7 t -56.71 -31.45 35.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.99 0.424 . . . . 0.0 111.014 -176.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.507 ' O ' HG13 ' B' ' 35' ' ' ILE . 0.5 OUTLIER -76.11 -61.31 1.98 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.333 177.743 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.543 ' HB2' ' HD2' ' B' ' 29' ' ' PRO . 53.4 mt -56.31 -38.84 71.81 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.2 p -62.85 -44.4 96.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.759 0.314 . . . . 0.0 111.416 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.7 -34.21 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.921 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.507 HG13 ' O ' ' B' ' 31' ' ' ASP . 56.2 mt -69.63 -37.2 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.778 0.323 . . . . 0.0 110.405 178.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.42 ' HA ' HG21 ' A' ' 16' ' ' VAL . . . -62.36 -46.37 88.97 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 120.855 0.36 . . . . 0.0 110.046 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.17 -42.74 95.61 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.87 -52.56 52.53 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.605 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -58.0 -41.75 83.73 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 111.16 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 45.4 ttp -66.33 -47.58 73.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.74 -46.3 88.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.3 t -59.12 -43.81 91.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.754 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -59.56 -38.77 81.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.81 -44.54 55.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.8 0.333 . . . . 0.0 110.936 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.543 ' HB3' ' SG ' ' B' ' 54' ' ' CYS . 96.6 mt -63.49 -27.77 69.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.446 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.761 ' HA ' ' NH1' ' A' ' 72' ' ' ARG . 33.8 p -94.62 0.76 55.4 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.865 -174.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 22.7 p -122.8 -47.36 2.07 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 11.6 m -100.86 -5.17 26.51 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -170.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.443 HG22 HD21 ' B' ' 45' ' ' LEU . 39.0 t -113.9 128.4 25.8 Favored Pre-proline 0 C--N 1.326 -0.446 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.956 -177.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.66 152.31 13.07 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.363 2.709 . . . . 0.0 112.629 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -52.6 -64.31 0.86 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.436 -173.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 9.7 t -76.35 -22.37 54.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.766 0.317 . . . . 0.0 111.233 -172.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 8.6 tt0 -74.75 -35.65 62.61 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . 0.543 ' SG ' ' HB3' ' B' ' 45' ' ' LEU . 34.7 t -56.87 -44.85 82.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.621 -176.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -64.75 -45.32 86.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 111.032 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.04 -30.07 58.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.468 -174.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 10.3 tp -72.15 -41.48 67.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.558 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.08 96.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.545 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.668 HE21 HG13 ' A' ' 66' ' ' ILE . 58.4 mm-40 -66.05 -34.46 78.12 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.05 -44.11 63.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.79 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -61.83 -43.5 98.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.751 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.641 ' O ' HG12 ' B' ' 66' ' ' ILE . 29.4 p -63.6 -53.57 49.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -60.43 -32.8 71.71 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -64.1 -44.04 93.5 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 80.4 mt -67.93 -33.37 74.54 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.641 HG12 ' O ' ' B' ' 62' ' ' SER . 50.9 mm -55.53 -50.19 68.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.011 0.434 . . . . 0.0 110.221 176.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -75.93 -27.21 57.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.742 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.11 -49.44 72.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.427 HG11 ' CG2' ' A' ' 46' ' ' THR . 76.9 t -62.06 -41.98 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.155 175.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.25 -54.0 48.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.193 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.7 m -75.64 -13.81 60.34 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.382 0.611 . . . . 0.0 110.991 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' B' ' 72' ' ' ARG . 23.4 ttt85 -84.11 -28.98 27.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.069 176.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 56.3 tp -83.63 -39.79 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.192 176.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -80.75 77.52 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.569 0.7 . . . . 0.0 110.977 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -74.92 99.09 3.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.781 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -157.97 79.87 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.814 0.34 . . . . 0.0 111.026 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -138.1 103.34 4.92 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 173.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -152.46 16.54 0.61 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.01 0.433 . . . . 0.0 110.256 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -177.28 -35.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 11.4 p80 . . . . . 0 C--O 1.245 0.858 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 173.752 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.889 0.375 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.32 160.08 41.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.201 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -92.1 131.22 37.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.912 0.387 . . . . 0.0 110.45 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -155.42 92.5 1.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.903 -174.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 m -146.8 143.6 28.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.747 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -125.97 -81.19 0.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.425 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -84.95 -81.54 0.19 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.7 m -153.33 93.72 1.74 Allowed 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 174.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -73.05 -12.26 60.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.14 0.495 . . . . 0.0 110.66 -175.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.26 -38.24 31.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -62.63 -37.26 85.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.61 172.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 16' ' ' VAL . 41.1 tp -54.85 -52.76 61.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.283 174.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.2 m -55.23 -37.83 67.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.238 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.97 -33.78 76.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.8 mt -72.34 -45.77 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.979 0.419 . . . . 0.0 110.249 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 12' ' ' LEU . 1.7 t -68.17 -36.31 74.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.939 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -60.75 -43.43 97.97 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.161 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.725 ' O ' HG22 ' A' ' 22' ' ' VAL . 31.5 t0 -66.13 -46.37 77.74 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 43.3 ttm -51.22 -44.79 61.72 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.368 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 16' ' ' VAL . 78.3 mt -63.24 -41.98 94.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.758 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.23 -41.38 90.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 18' ' ' ASP . 29.0 t -60.86 -45.98 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.05 177.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.476 HD12 ' HE1' ' B' ' 19' ' ' MET . 56.3 tp -60.34 -47.16 87.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.044 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -66.31 -26.19 67.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.692 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -70.14 -42.75 72.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.388 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -92.78 -2.51 55.9 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 60.46 89.42 0.07 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.261 0.553 . . . . 0.0 112.365 175.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.461 ' HB2' HD13 ' B' ' 15' ' ' ILE . . . -127.99 111.31 20.15 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.017 173.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HD2' HD12 ' A' ' 32' ' ' LEU . 19.2 Cg_endo -60.86 168.06 7.74 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.757 2.304 . . . . 0.0 111.965 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -54.2 -27.64 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 121.02 0.438 . . . . 0.0 111.933 -175.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.533 ' O ' HG13 ' A' ' 35' ' ' ILE . 31.2 t70 -75.03 -61.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.451 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.406 HD12 ' HD2' ' A' ' 29' ' ' PRO . 69.5 mt -59.59 -39.54 84.49 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 p -64.58 -40.16 95.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 110.574 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tt -64.76 -35.76 82.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.679 177.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 31' ' ' ASP . 65.6 mt -66.29 -40.62 87.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.711 177.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.486 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -59.99 -50.49 73.54 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 110.514 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.81 -42.69 94.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.741 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.12 -51.59 56.53 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.768 177.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -58.21 -45.45 87.62 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.883 0.373 . . . . 0.0 110.997 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.9 ttt -62.73 -48.02 81.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.842 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.75 84.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.32 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -59.06 -52.89 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.401 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -60.46 -38.05 82.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.162 0.506 . . . . 0.0 111.131 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.49 -52.32 33.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.468 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.63 -27.07 68.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.867 0.365 . . . . 0.0 111.466 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.2 p -92.13 14.18 16.83 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.964 0.411 . . . . 0.0 111.34 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.1 m -136.01 -51.27 0.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.861 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.3 p -81.13 -68.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -170.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.69 143.54 75.67 Favored Pre-proline 0 C--O 1.235 0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.407 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.12 115.54 1.77 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.453 2.769 . . . . 0.0 112.296 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -56.7 -34.49 67.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.747 -175.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.7 m -59.54 -33.91 71.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.527 -176.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -122.95 21.43 9.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.872 0.368 . . . . 0.0 110.455 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.8 t -59.58 -49.09 79.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.627 -175.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -62.39 -31.44 72.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.938 0.399 . . . . 0.0 111.327 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.24 -41.63 66.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.404 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.1 mt -67.87 -36.81 80.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.596 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.25 97.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.716 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -65.97 -35.3 80.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.97 95.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -67.98 -47.01 69.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.651 ' O ' HG12 ' A' ' 66' ' ' ILE . 67.7 p -61.78 -52.8 62.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.049 -177.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -36.9 76.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.691 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.3 m -62.58 -39.22 93.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.278 177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 69' ' ' VAL . 90.9 mt -67.2 -42.62 83.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.323 176.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.651 HG12 ' O ' ' A' ' 62' ' ' SER . 28.2 mm -57.99 -45.83 87.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.239 0.543 . . . . 0.0 110.581 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -79.01 -21.85 46.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.041 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.584 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -67.14 -42.26 84.69 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 174.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 65' ' ' LEU . 95.7 t -59.9 -45.23 95.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.003 175.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' HZ1' HG22 ' A' ' 66' ' ' ILE . 63.1 mttp -56.33 -39.2 72.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.906 176.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.1 m -71.14 -23.16 62.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 22.1 mmt180 -80.06 -24.65 40.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.138 0.494 . . . . 0.0 109.939 176.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.4 mt -89.21 -41.02 12.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.611 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.56 157.06 33.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.231 -176.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -121.75 145.39 48.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -112.93 133.99 54.64 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.298 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -124.86 170.33 11.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.534 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.0 t60 65.27 86.12 0.13 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.687 0.617 . . . . 0.0 111.816 169.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -85.07 -24.86 27.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 110.799 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.4 t60 . . . . . 0 C--O 1.245 0.836 0 CA-C-O 118.38 -0.819 . . . . 0.0 110.029 178.942 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 85.9 mmm . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.793 0.33 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.73 144.3 50.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.919 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.798 ' HA ' HE21 ' B' ' 3' ' ' GLN . 0.0 OUTLIER -100.34 156.02 17.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' B' ' 3' ' ' GLN . 71.0 m-70 70.7 -74.35 0.09 Allowed 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.783 0.677 . . . . 0.0 110.305 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -85.15 91.41 8.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 176.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -78.89 55.53 1.76 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.078 -175.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 57.91 56.25 4.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.321 -176.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.472 ' HB2' ' HB2' ' B' ' 11' ' ' GLN . 1.2 m -66.35 108.82 2.47 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.72 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -59.76 -18.71 45.3 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 174.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.88 38.49 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.862 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.472 ' HB2' ' HB2' ' B' ' 8' ' ' SER . 14.1 mm100 -68.85 -41.42 78.47 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.394 177.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.716 ' O ' HG21 ' B' ' 16' ' ' VAL . 42.8 tp -60.13 -57.74 11.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.187 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 48.0 m -53.01 -40.95 64.21 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.375 0.422 . . . . 0.0 111.31 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.77 -43.61 98.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.204 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.626 ' HA ' ' OD2' ' B' ' 18' ' ' ASP . 64.1 mt -74.83 -36.92 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.633 -176.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.716 HG21 ' O ' ' B' ' 12' ' ' LEU . 3.2 t -65.46 -33.48 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -72.66 -26.6 61.69 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.946 176.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.626 ' OD2' ' HA ' ' B' ' 15' ' ' ILE . 43.6 m-20 -58.38 -58.35 8.91 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.476 ' HE1' HD12 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -51.65 -47.75 63.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.337 179.2 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.41 -50.3 73.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.457 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.664 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -67.01 -43.44 82.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -174.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.499 HG21 ' O ' ' B' ' 18' ' ' ASP . 94.2 t -63.6 -43.46 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.747 0.308 . . . . 0.0 110.833 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.72 -30.12 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.807 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -66.01 -38.79 89.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.44 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.664 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 39.4 mmtm -63.33 -41.03 98.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.293 -177.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -82.2 -24.33 34.98 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.739 ' HZ2' ' HB2' ' B' ' 27' ' ' LYS . 2.2 ttmp? 58.36 79.53 0.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.85 174.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' B' ' 32' ' ' LEU . . . -90.34 138.97 26.81 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.002 175.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.67 51.48 2.67 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.186 2.591 . . . . 0.0 113.767 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 81.7 t 73.49 -50.72 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 123.083 0.553 . . . . 0.0 112.094 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.553 ' O ' HG13 ' B' ' 35' ' ' ILE . 23.3 m-20 -51.48 -66.07 0.45 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.081 0.467 . . . . 0.0 110.957 -178.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.474 ' HB2' ' HB2' ' B' ' 28' ' ' ALA . 95.4 mt -62.04 -34.71 76.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.144 -177.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -60.62 -45.67 93.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.289 0.566 . . . . 0.0 110.365 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.03 -40.7 71.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.706 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 31' ' ' ASP . 52.5 mt -67.81 -33.95 64.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.906 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.426 ' CB ' HG23 ' A' ' 16' ' ' VAL . . . -60.45 -45.99 91.68 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.985 0.421 . . . . 0.0 109.959 174.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.74 -37.22 85.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.497 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.96 -46.29 94.88 Favored Glycine 0 C--N 1.33 0.212 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.316 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -59.09 -42.41 90.38 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.602 0.239 . . . . 0.0 110.634 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 85.8 mmm -62.22 -51.18 68.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.18 -46.52 79.34 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.107 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.2 t -61.82 -54.74 38.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.552 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -57.4 -43.48 83.77 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.385 -175.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 mt -64.89 -43.82 91.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.023 0.44 . . . . 0.0 111.772 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.48 ' HA ' HG23 ' B' ' 49' ' ' VAL . 98.1 mt -80.18 -9.42 59.72 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.701 -175.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.492 HG22 ' HG3' ' A' ' 72' ' ' ARG . 30.0 p -112.73 3.33 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.72 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 10.7 m -140.53 -34.76 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -176.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.7 m -93.85 -50.07 5.53 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.71 -172.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.48 HG23 ' HA ' ' B' ' 45' ' ' LEU . 34.7 m -89.79 158.94 44.3 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 121.234 -0.186 . . . . 0.0 110.933 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -53.8 128.07 28.1 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.683 2.255 . . . . 0.0 111.925 176.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.401 ' HA ' ' SG ' ' B' ' 54' ' ' CYS . 77.8 mt-30 -74.95 2.15 11.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.997 -173.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 10.8 m -96.08 -32.7 12.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.26 0.553 . . . . 0.0 110.511 174.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -100.47 -9.37 22.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.153 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' B' ' 51' ' ' GLN . 19.6 p -61.53 -48.43 81.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.452 -174.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.486 ' HG3' HG21 ' A' ' 66' ' ' ILE . 39.7 tt0 -61.82 -36.2 80.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.689 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.24 -53.23 39.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.127 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.81 -37.97 89.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.25 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.93 92.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.871 0.367 . . . . 0.0 111.146 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.46 ' NE2' ' HG2' ' B' ' 55' ' ' GLU . 47.6 mt-30 -69.36 -48.23 61.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.615 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.83 85.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.773 0.32 . . . . 0.0 111.573 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -65.11 -49.27 70.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.56 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.597 ' O ' HG12 ' B' ' 66' ' ' ILE . 16.2 p -66.22 -38.7 88.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.141 -178.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -59.21 -43.13 92.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.808 -0.178 . . . . 0.0 111.275 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 95.4 p -64.16 -33.4 75.7 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.624 -0.431 . . . . 0.0 109.936 178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 69' ' ' VAL . 93.7 mt -68.44 -37.72 80.51 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.552 176.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.597 HG12 ' O ' ' B' ' 62' ' ' SER . 39.9 mm -56.92 -48.52 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 121.288 0.566 . . . . 0.0 109.787 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -64.48 -39.39 93.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.575 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' B' ' 72' ' ' ARG . . . -61.91 -47.73 83.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 178.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 65' ' ' LEU . 70.4 t -57.44 -46.88 85.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.832 0.349 . . . . 0.0 110.644 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.18 -34.77 74.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 25.4 m -79.4 -19.85 49.04 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.204 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' B' ' 68' ' ' ALA . 12.3 mmm-85 -81.47 -43.84 18.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 87.0 mt -73.33 -43.88 59.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.616 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 57.13 85.49 0.08 Allowed 'General case' 0 C--N 1.335 -0.061 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.431 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -96.95 113.49 25.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.009 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -85.74 -167.09 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.442 -176.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -58.82 134.76 57.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.105 0.479 . . . . 0.0 111.432 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.49 174.98 3.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.921 178.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -71.79 -39.19 70.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.34 0.59 . . . . 0.0 109.762 -176.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--O 1.244 0.777 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.147 174.849 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.874 0.369 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.55 -40.83 66.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.472 0.654 . . . . 0.0 109.344 173.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -102.31 92.94 4.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.228 -0.897 . . . . 0.0 109.235 177.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -61.96 122.88 16.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.106 0.479 . . . . 0.0 110.748 -178.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -102.65 140.2 37.25 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.55 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -122.37 -121.2 0.28 Allowed 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 166.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -166.81 97.26 0.54 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.315 0.579 . . . . 0.0 110.368 177.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.576 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 47.5 t -120.12 111.49 17.92 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.014 177.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -69.92 -15.64 63.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.14 -45.13 18.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.746 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.576 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 14.4 mm100 -72.73 -32.73 65.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.44 176.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -59.02 -61.25 2.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.591 177.524 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.0 p -56.67 -37.92 71.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.468 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 18' ' ' ASP . . . -57.48 -40.93 79.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.806 0.336 . . . . 0.0 111.021 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.6 mt -74.65 -40.78 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.317 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.4 t -63.32 -45.03 99.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.9 0.381 . . . . 0.0 110.257 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -71.69 -23.46 61.66 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.685 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.741 ' O ' HG21 ' A' ' 22' ' ' VAL . 14.9 t70 -65.87 -51.58 57.57 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 175.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.9 mtt -54.93 -38.51 67.76 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.165 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.94 -45.04 99.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.147 0.498 . . . . 0.0 110.385 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 25' ' ' LYS . . . -64.74 -39.08 93.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.016 177.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.741 HG21 ' O ' ' A' ' 18' ' ' ASP . 39.6 t -66.16 -33.74 65.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.216 177.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.59 -40.32 96.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.092 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -88.34 -12.65 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 111.088 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 35.0 tptt -73.28 -43.48 60.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.585 0.707 . . . . 0.0 109.12 176.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -85.56 -20.68 29.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 171.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.0 tttp 55.85 90.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 113.899 -1.5 . . . . 0.0 112.01 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -116.52 135.52 22.92 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.88 175.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.798 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 14.1 Cg_exo -69.19 168.49 20.66 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.668 2.245 . . . . 0.0 111.253 176.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.469 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 59.5 t -60.87 -43.05 94.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.761 0.315 . . . . 0.0 111.065 -175.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.443 ' O ' HG13 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -69.76 -51.01 37.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -178.473 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.798 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 4.1 mm? -54.74 -42.74 71.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.679 0.276 . . . . 0.0 110.861 176.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.41 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 34.2 t -61.76 -47.3 85.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.961 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 80.2 mt -62.44 -40.11 95.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.57 0.224 . . . . 0.0 111.333 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 31' ' ' ASP . 60.1 mt -69.43 -39.6 78.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.878 0.371 . . . . 0.0 110.33 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -62.42 -45.54 92.66 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.377 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 33' ' ' SER . 88.7 mt -61.49 -36.36 80.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.358 177.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.82 -51.68 57.52 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.088 176.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -61.87 -46.33 89.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.04 0.448 . . . . 0.0 110.453 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.0 ttt -61.27 -51.76 67.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.49 -176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.98 75.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.083 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 m -55.72 -48.25 75.49 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.54 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -57.1 -49.28 76.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.22 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.401 ' HA ' HG23 ' A' ' 47' ' ' THR . 88.0 mt -71.05 -38.58 72.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.356 -176.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.482 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 86.0 mt -71.44 -13.66 61.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.357 -178.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.6 p -105.36 13.26 30.61 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.85 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.401 HG23 ' HA ' ' A' ' 44' ' ' LEU . 11.1 t -134.45 -44.03 0.76 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.342 -0.543 . . . . 0.0 112.412 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.9 t -81.37 -43.44 19.0 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 121.886 -0.509 . . . . 0.0 111.201 -177.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 27.5 m -102.56 149.6 36.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.146 -177.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 49' ' ' VAL . 22.1 Cg_exo -65.81 139.74 58.5 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 123.012 2.475 . . . . 0.0 111.797 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.559 ' HG2' HD11 ' B' ' 73' ' ' LEU . 21.0 mp0 -56.51 -36.46 69.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.276 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.6 t -65.94 -18.92 65.67 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.507 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -107.72 -21.33 12.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.643 0.259 . . . . 0.0 110.641 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 37.0 t -55.08 -53.81 51.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.583 -174.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.72 ' HG3' HG22 ' B' ' 66' ' ' ILE . 41.3 tt0 -58.16 -41.68 84.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.986 0.422 . . . . 0.0 110.795 -178.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.04 -53.73 41.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.111 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mp -66.28 -39.88 89.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.67 -176.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.1 88.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.838 0.352 . . . . 0.0 110.809 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -70.28 -35.58 73.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.439 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.13 89.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.076 0.465 . . . . 0.0 110.185 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.422 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 69.0 t80 -61.85 -38.2 87.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.108 176.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.682 ' O ' HG12 ' A' ' 66' ' ' ILE . 15.9 t -61.79 -52.43 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.75 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -56.49 -36.8 69.54 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.2 m -63.75 -42.0 97.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.254 177.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 69' ' ' VAL . 97.2 mt -65.96 -38.04 87.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.3 177.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.682 HG12 ' O ' ' A' ' 62' ' ' SER . 39.0 mm -59.45 -45.92 93.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.9 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -66.14 -41.16 90.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.733 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.21 92.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.636 HG13 ' HB2' ' B' ' 55' ' ' GLU . 76.1 t -60.27 -49.56 83.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 177.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.532 ' HZ1' HG21 ' A' ' 66' ' ' ILE . 61.8 mttp -59.84 -37.09 78.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.318 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.1 m -59.39 -37.34 77.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.859 0.361 . . . . 0.0 110.816 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.2 mmm-85 -71.98 -41.8 67.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.004 0.431 . . . . 0.0 110.522 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 75' ' ' HIS . 10.9 mp -71.52 -16.01 62.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -78.23 24.66 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.014 175.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.439 ' H ' ' C ' ' A' ' 73' ' ' LEU . 52.4 t-80 -61.3 99.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 172.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -88.26 118.78 28.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -173.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -135.17 -36.57 0.81 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.549 174.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -84.72 -40.39 17.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.819 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -91.68 121.38 33.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.766 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.2 m80 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.238 -0.887 . . . . 0.0 109.733 179.572 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.938 0.399 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.54 117.08 20.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.64 -177.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -129.58 93.73 3.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.71 0.767 . . . . 0.0 110.584 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -145.41 37.79 1.12 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.3 -0.863 . . . . 0.0 108.719 175.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -53.93 102.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.343 -1.299 . . . . 0.0 112.672 -173.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -133.32 -42.9 0.86 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.706 173.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -122.75 -65.36 1.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.612 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.544 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 46.8 t -162.26 113.79 1.63 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.407 178.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -67.29 -23.52 65.67 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 175.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.43 -45.78 44.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.163 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.544 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 15.7 mm100 -66.12 -38.36 87.98 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.634 ' O ' HG21 ' B' ' 16' ' ' VAL . 57.9 tp -56.51 -58.69 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.944 177.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 23.8 p -56.91 -39.9 75.29 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 123.17 0.294 . . . . 0.0 111.419 -175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.17 83.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 0.0 111.168 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 79.2 mt -69.74 -50.47 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.999 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.634 HG21 ' O ' ' B' ' 12' ' ' LEU . 1.6 t -63.65 -42.95 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.974 0.416 . . . . 0.0 110.246 -178.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -53.01 -48.68 67.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.077 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.744 ' O ' HG23 ' B' ' 22' ' ' VAL . 25.9 t0 -63.61 -52.77 59.42 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.167 -177.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 54.4 mtm -55.88 -41.12 73.97 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.204 0.315 . . . . 0.0 111.691 -176.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.8 mt -65.17 -42.44 94.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 120.763 0.315 . . . . 0.0 110.661 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.27 -40.81 86.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.923 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.744 HG23 ' O ' ' B' ' 18' ' ' ASP . 48.2 t -59.61 -45.11 94.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.969 177.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.468 HD13 ' OG ' ' B' ' 33' ' ' SER . 6.2 tt -60.06 -51.43 69.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.243 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.03 -42.84 99.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.195 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -75.98 -18.44 59.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 110.927 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -81.68 -11.39 59.08 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 tttp 64.87 34.18 9.43 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.995 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.45 124.51 80.21 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.497 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.08 155.02 52.68 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.24 1.96 . . . . 0.0 111.554 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.45 -22.45 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -176.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.411 ' O ' HG13 ' B' ' 35' ' ' ILE . 7.3 m-20 -62.04 -69.85 0.23 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.585 0.707 . . . . 0.0 110.449 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.99 -30.52 66.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.163 -174.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.468 ' OG ' HD13 ' B' ' 23' ' ' LEU . 32.8 t -64.72 -40.86 96.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.207 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.61 -43.76 95.96 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.494 ' CG2' HD13 ' A' ' 12' ' ' LEU . 22.7 mt -69.17 -34.39 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.439 ' HA ' HG21 ' A' ' 16' ' ' VAL . . . -61.11 -51.93 67.04 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 174.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.4 -38.37 80.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.246 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.42 -53.98 37.76 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.383 177.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -60.2 -40.16 89.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.564 0.221 . . . . 0.0 111.239 178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.48 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 27.1 ttt -67.1 -51.34 55.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.56 69.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.21 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 12.9 p -58.06 -48.05 81.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.749 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -57.7 -40.84 80.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.047 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' B' ' 40' ' ' MET . 73.4 mt -67.23 -54.64 19.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.007 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mp -68.37 -8.46 40.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -175.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.3 p -106.32 10.64 31.6 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.701 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.3 m -140.37 -45.27 0.41 Allowed 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 54.3 p -85.21 -39.1 18.19 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -171.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 35.9 m -96.4 155.22 38.22 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.496 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.453 ' HG2' ' HG2' ' B' ' 53' ' ' GLN . 11.6 Cg_endo -57.71 121.82 10.68 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.496 2.131 . . . . 0.0 112.209 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.456 ' HA ' ' SG ' ' B' ' 54' ' ' CYS . 11.0 pt20 -59.32 -18.14 35.37 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.659 -178.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 25.8 m -61.56 -37.87 85.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.976 0.417 . . . . 0.0 111.055 177.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.453 ' HG2' ' HG2' ' B' ' 50' ' ' PRO . 4.1 pt20 -119.24 2.71 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.192 -173.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' B' ' 51' ' ' GLN . 27.8 p -59.1 -43.65 91.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.665 -173.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.636 ' HB2' HG13 ' A' ' 69' ' ' VAL . 36.7 tt0 -61.23 -41.19 96.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.713 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.38 93.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.641 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 mp -67.47 -37.01 82.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.302 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.21 89.99 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.216 0.531 . . . . 0.0 110.382 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.36 -49.32 76.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.932 176.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.53 -33.21 75.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.749 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.499 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 86.8 t80 -59.71 -55.05 39.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.021 0.439 . . . . 0.0 110.106 177.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.598 ' O ' HG12 ' B' ' 66' ' ' ILE . 41.7 t -67.86 -36.48 80.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.622 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -57.61 -40.89 80.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.586 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 33.8 t -68.61 -30.32 69.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.124 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.557 ' O ' HG21 ' B' ' 69' ' ' VAL . 87.3 mt -65.01 -48.19 74.83 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 175.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.72 HG22 ' HG3' ' A' ' 55' ' ' GLU . 18.0 mm -53.67 -45.59 60.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.547 0.689 . . . . 0.0 109.871 177.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -65.24 -43.77 90.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.884 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.76 92.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.214 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.557 HG21 ' O ' ' B' ' 65' ' ' LEU . 92.0 t -59.82 -48.92 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.824 178.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -67.75 -31.94 72.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.869 0.366 . . . . 0.0 111.041 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' B' ' 74' ' ' GLU . 41.3 m -70.19 -23.24 62.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.289 0.566 . . . . 0.0 110.259 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -79.68 -27.3 40.8 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.559 HD11 ' HG2' ' A' ' 51' ' ' GLN . 9.2 mp -76.66 -18.03 58.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.437 175.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' B' ' 71' ' ' THR . 7.9 mm-40 -60.27 90.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.774 173.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -75.46 144.68 41.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -73.65 86.08 1.63 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.31 0.576 . . . . 0.0 111.491 -175.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -126.06 6.92 7.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.906 175.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -90.21 112.52 24.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.479 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -92.8 -25.36 18.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.193 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 4.4 t60 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.5 -0.762 . . . . 0.0 110.192 -177.393 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.956 0.408 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.45 141.81 12.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.463 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -108.08 170.28 8.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.572 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -117.95 45.23 2.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.105 0.478 . . . . 0.0 110.425 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 p -179.35 -88.39 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.086 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -148.47 -69.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -100.96 -73.04 0.66 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 169.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.482 ' HB2' ' CG ' ' A' ' 11' ' ' GLN . 66.3 m -159.28 126.31 4.69 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.89 -28.89 66.58 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.2 -39.2 75.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.085 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.482 ' CG ' ' HB2' ' A' ' 8' ' ' SER . 67.0 mm-40 -65.32 -49.53 69.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.107 177.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 16' ' ' VAL . 56.8 tp -60.31 -57.11 14.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.033 -177.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.5 p -54.86 -39.44 68.63 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.01 79.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.719 0.295 . . . . 0.0 110.956 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.31 -46.55 96.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.443 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 12' ' ' LEU . 1.7 t -70.91 -33.94 53.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.182 0.515 . . . . 0.0 109.811 -176.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.35 -29.45 67.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.441 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.746 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 m-20 -63.88 -46.02 86.79 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.2 mtt -56.48 -39.23 72.89 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.898 0.749 . . . . 0.0 110.761 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.7 mt -61.44 -43.65 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.71 86.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 18' ' ' ASP . 44.6 t -58.39 -42.56 84.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 121.21 0.529 . . . . 0.0 110.117 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.74 -44.01 93.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.881 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -72.47 -42.98 64.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.446 -176.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.04 -41.98 94.74 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -176.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -85.82 -11.26 53.86 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.658 -0.417 . . . . 0.0 109.961 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.941 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER 63.96 87.17 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.204 179.02 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' HB1' HD12 ' B' ' 15' ' ' ILE . . . -130.94 132.57 23.97 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.506 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.704 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 7.5 Cg_exo -71.27 166.0 30.66 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.595 2.196 . . . . 0.0 111.38 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.7 m -64.21 -16.72 19.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -176.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.539 ' O ' HG13 ' A' ' 35' ' ' ILE . 12.0 p-10 -90.08 -45.67 8.99 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.493 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.704 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 40.2 mt -65.51 -42.36 92.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.626 0.25 . . . . 0.0 111.291 177.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.3 p -64.86 -31.95 73.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.948 0.404 . . . . 0.0 110.516 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.541 HD13 HD11 ' A' ' 37' ' ' LEU . 13.8 tp -65.69 -36.48 83.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.938 177.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 31' ' ' ASP . 56.2 mt -69.03 -36.78 75.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.342 177.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -59.9 -41.33 91.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.83 0.347 . . . . 0.0 110.258 174.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.541 HD11 HD13 ' A' ' 34' ' ' LEU . 95.9 mt -58.73 -42.63 89.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.419 176.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.91 -43.27 94.07 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.622 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -60.8 -44.12 97.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 0.0 110.477 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.4 tpt -66.42 -47.61 72.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.661 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.473 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -52.78 -53.93 41.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.564 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 p -61.87 -44.45 96.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.832 0.349 . . . . 0.0 111.374 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -66.88 -36.71 82.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.753 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.6 -42.49 74.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.517 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 95.5 mt -65.69 -25.86 67.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.9 p -93.8 15.99 15.22 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.752 0.31 . . . . 0.0 111.342 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.7 m -132.54 -51.39 0.93 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 p -88.97 -21.38 23.57 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -169.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.5 138.71 27.72 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.378 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -49.12 145.65 14.07 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.603 2.869 . . . . 0.0 112.499 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.431 ' H ' ' NE2' ' A' ' 51' ' ' GLN . 1.4 mp0 -56.49 -54.17 48.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.009 -172.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 t -64.93 -24.13 67.43 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -174.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -94.64 -12.69 26.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.679 0.276 . . . . 0.0 111.08 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.517 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 37.4 t -59.04 -48.1 82.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.574 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.84 -35.69 75.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.254 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.08 -52.08 13.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.454 -176.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.15 -38.95 89.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.411 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.93 92.81 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.383 177.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -65.33 -50.48 65.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.02 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.13 -47.78 84.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.428 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -56.09 -49.97 72.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.425 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.511 ' O ' HG12 ' A' ' 66' ' ' ILE . 19.4 m -61.98 -47.92 82.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.201 -179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -64.1 -34.32 77.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.5 p -68.36 -28.32 67.02 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.255 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.632 HD23 ' HB3' ' B' ' 42' ' ' SER . 83.3 mt -72.52 -36.01 68.22 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.289 174.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 62' ' ' SER . 23.7 mm -61.04 -39.12 81.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -59.46 -42.95 93.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.921 175.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 72' ' ' ARG . . . -62.55 -42.09 99.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.737 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 65' ' ' LEU . 87.2 t -56.49 -51.05 69.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.243 175.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -57.59 -47.99 80.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.93 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.8 m -62.63 -42.71 99.75 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 68' ' ' ALA . 57.0 mtp180 -65.04 -44.01 90.47 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.198 -177.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.46 -43.71 31.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.875 0.369 . . . . 0.0 110.919 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -98.68 44.35 1.03 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.724 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -59.88 107.11 0.57 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.513 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -100.85 121.17 41.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.495 -175.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -122.44 169.72 10.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.352 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.414 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 14.8 t-80 -145.32 21.34 1.54 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.414 ' HB2' ' O ' ' A' ' 78' ' ' HIS . 62.6 m-70 66.56 -72.15 0.09 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.078 -171.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.1 p80 . . . . . 0 C--O 1.248 0.984 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.006 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.1 ttp . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.98 168.05 0.31 Allowed 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.788 0.68 . . . . 0.0 111.758 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -121.96 126.49 48.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.009 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -76.22 52.61 0.76 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.376 0.608 . . . . 0.0 111.843 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -81.19 57.43 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.216 0.531 . . . . 0.0 110.636 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -85.44 -1.61 57.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.828 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 62.61 79.39 0.26 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.654 -174.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.535 ' HB3' ' HB3' ' B' ' 11' ' ' GLN . 44.8 t -80.74 112.65 18.3 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.728 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -67.13 -12.46 60.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.79 -49.18 9.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.038 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.535 ' HB3' ' HB3' ' B' ' 8' ' ' SER . 7.2 tp60 -59.2 -43.61 92.26 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.446 174.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.599 ' O ' HG21 ' B' ' 16' ' ' VAL . 60.3 tp -57.06 -57.14 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.974 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 71.2 p -56.69 -36.48 69.67 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.19 0.306 . . . . 0.0 111.533 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.04 98.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.765 0.317 . . . . 0.0 110.516 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.465 HD12 ' HB1' ' A' ' 28' ' ' ALA . 74.8 mt -67.26 -38.99 82.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.812 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.599 HG21 ' O ' ' B' ' 12' ' ' LEU . 2.5 t -67.86 -35.13 71.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.128 0.49 . . . . 0.0 109.754 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -68.94 -31.81 70.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.607 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -58.78 -43.61 90.5 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.446 ' HE1' HD21 ' A' ' 37' ' ' LEU . 82.2 mtp -57.53 -47.02 83.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.675 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.66 -45.64 98.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.345 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -60.61 -54.61 43.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.458 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 32.3 m -64.52 -30.01 48.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.099 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.14 -44.05 85.28 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -71.78 -17.51 62.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.45 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 34.0 mmtp -84.7 -16.15 42.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 0.0 111.068 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -101.12 -32.99 10.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.159 177.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.21 80.07 0.19 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.166 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.48 138.52 19.91 Favored Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -73.28 42.92 0.68 Allowed 'Trans proline' 0 N--CA 1.477 0.504 0 C-N-CA 123.282 2.655 . . . . 0.0 113.804 -173.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t 71.61 -47.0 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.526 0.731 . . . . 0.0 111.585 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.535 ' O ' HG13 ' B' ' 35' ' ' ILE . 36.4 m-20 -51.07 -66.24 0.42 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.062 0.458 . . . . 0.0 110.86 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.8 -31.25 71.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.277 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -61.76 -45.44 93.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.171 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.78 -40.2 76.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.95 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.535 HG13 ' O ' ' B' ' 31' ' ' ASP . 59.3 mt -63.71 -44.39 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.013 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.88 86.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.721 0.296 . . . . 0.0 110.737 177.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.29 -40.23 95.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.421 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.06 -48.11 83.01 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.544 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.24 -46.8 87.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.626 0.251 . . . . 0.0 110.758 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.623 ' HE3' HD13 ' B' ' 44' ' ' LEU . 13.6 tpt -63.74 -47.91 79.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.77 -52.1 66.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.499 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.632 ' HB3' HD23 ' A' ' 65' ' ' LEU . 24.0 p -63.55 -44.57 93.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.135 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -55.42 -50.85 68.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.623 HD13 ' HE3' ' B' ' 40' ' ' MET . 68.2 mt -63.8 -42.65 97.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.259 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.85 -13.28 61.25 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 21.1 p -112.66 10.44 19.4 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.456 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 19.0 m -136.81 -41.54 0.6 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.4 m -89.17 -35.69 16.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -171.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' B' ' 54' ' ' CYS . 15.6 m -109.7 160.11 29.14 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.172 -176.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.517 ' HG2' ' HB2' ' B' ' 53' ' ' GLN . 6.6 Cg_endo -49.94 128.16 21.17 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.542 2.828 . . . . 0.0 112.518 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.565 ' HG3' HG23 ' B' ' 52' ' ' THR . 24.7 pt20 -61.66 -25.19 67.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -170.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' THR . . . . . 0.565 HG23 ' HG3' ' B' ' 51' ' ' GLN . 41.0 p -100.11 -19.82 16.3 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.534 0.683 . . . . 0.0 111.219 -176.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.517 ' HB2' ' HG2' ' B' ' 50' ' ' PRO . 16.5 mm100 -97.89 -10.61 24.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.538 -178.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . 0.551 ' HB3' HG21 ' B' ' 49' ' ' VAL . 29.4 p -80.08 -37.75 33.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.185 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.58 -40.45 94.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.135 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.09 83.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.843 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.37 -35.32 73.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.295 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.71 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.067 0.461 . . . . 0.0 110.582 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -71.01 -37.69 72.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.06 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.87 -34.38 73.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 110.636 176.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.87 -47.02 87.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.484 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.621 ' O ' HG12 ' B' ' 66' ' ' ILE . 0.7 OUTLIER -64.49 -44.5 90.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.56 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -51.15 -48.47 61.85 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.004 0.431 . . . . 0.0 110.282 174.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -60.26 -36.71 78.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.852 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.451 ' O ' HG23 ' B' ' 69' ' ' VAL . 88.3 mt -64.53 -46.68 81.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.746 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.621 HG12 ' O ' ' B' ' 62' ' ' SER . 6.1 mm -60.49 -42.01 89.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.427 0.632 . . . . 0.0 109.699 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -68.36 -40.22 81.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.896 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.55 92.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.98 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 65' ' ' LEU . 74.8 t -59.62 -46.97 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.774 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.04 -33.62 76.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.5 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 26.3 m -76.41 -29.3 57.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.08 0.467 . . . . 0.0 110.739 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' B' ' 72' ' ' ARG . 3.6 tpm_? -65.98 -50.97 62.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.626 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.85 -32.35 52.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.84 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' B' ' 75' ' ' HIS . 0.0 OUTLIER 66.83 -167.19 0.21 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.375 178.579 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.464 ' H ' ' CD ' ' B' ' 74' ' ' GLU . 23.8 m80 -136.76 146.72 46.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.097 -174.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 53.32 72.83 0.4 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.562 0.539 . . . . 0.0 110.468 174.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -127.59 -5.95 5.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.925 -169.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -150.85 147.89 27.8 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.769 -176.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . 0.492 ' O ' ' HB3' ' B' ' 80' ' ' HIS . 62.4 t-80 76.15 -44.47 0.5 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.968 171.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' B' ' 79' ' ' HIS . 34.3 t60 . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.252 -0.88 . . . . 0.0 108.695 -166.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.647 0.261 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.51 122.53 47.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.848 0.356 . . . . 0.0 111.096 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -77.46 160.96 28.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.058 176.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -104.87 103.7 13.33 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -172.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -76.7 100.56 5.45 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 171.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -83.46 -74.62 0.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.739 -171.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -139.59 87.28 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.326 0.584 . . . . 0.0 111.038 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.3 m -120.49 123.58 43.3 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.391 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -65.34 -20.5 66.42 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.73 -38.76 67.34 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.265 175.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.503 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.5 tp-100 -68.99 -45.05 71.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.113 176.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.9 tm? -54.64 -52.5 62.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.269 177.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.8 m -57.56 -41.85 81.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.195 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.08 -36.12 80.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.085 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 11' ' ' GLN . 80.5 mt -69.65 -50.96 45.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.2 t -65.1 -41.21 91.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.916 0.388 . . . . 0.0 110.502 -176.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -68.25 -29.78 68.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.243 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.688 ' O ' HG23 ' A' ' 22' ' ' VAL . 18.8 t0 -68.91 -49.5 57.59 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.0 mtt -50.74 -50.59 55.22 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.013 0.435 . . . . 0.0 110.787 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.13 -47.05 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' O ' ' HE2' ' A' ' 25' ' ' LYS . . . -63.27 -46.01 88.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.606 0.241 . . . . 0.0 111.418 -177.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 18' ' ' ASP . 49.1 t -62.75 -42.57 96.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.857 0.36 . . . . 0.0 110.22 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 tp -63.96 -43.42 95.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.078 0.466 . . . . 0.0 110.116 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -59.76 -37.28 78.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.135 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HE2' ' O ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -71.27 -13.64 61.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.707 -177.327 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -101.5 -31.31 10.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 171.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt 65.5 93.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.246 -174.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -102.65 139.33 20.08 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.067 177.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.528 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 17.3 Cg_exo -66.66 152.78 79.97 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.641 2.227 . . . . 0.0 111.347 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 39.2 t -57.87 -31.43 40.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 123.515 0.509 . . . . 0.0 111.342 -175.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.557 ' O ' HG13 ' A' ' 35' ' ' ILE . 35.3 t70 -74.03 -49.96 21.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.028 0.442 . . . . 0.0 110.324 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.528 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 74.2 mt -68.52 -35.65 77.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.864 -177.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.8 p -62.87 -39.83 95.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 0.0 110.613 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 84.8 mt -66.79 -36.39 82.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 31' ' ' ASP . 51.4 mt -67.8 -47.0 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.636 0.255 . . . . 0.0 110.412 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.473 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -58.15 -46.46 85.63 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.463 177.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.59 -41.25 88.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.594 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.88 -50.39 66.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.407 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -60.66 -40.21 91.21 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.895 0.379 . . . . 0.0 110.6 178.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -69.26 -48.03 62.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -178.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.92 -48.34 80.18 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 m -58.52 -47.73 83.19 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.959 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -60.47 -49.04 79.17 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.245 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.74 -34.9 78.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 111.238 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.474 ' HA ' HG13 ' A' ' 49' ' ' VAL . 89.5 mt -76.69 -14.12 59.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.329 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.7 p -104.04 -5.19 22.38 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.25 -0.58 . . . . 0.0 112.342 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.3 p -130.41 -39.1 1.33 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.2 m -92.11 -42.34 9.98 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.205 -0.31 . . . . 0.0 111.834 -169.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.474 HG13 ' HA ' ' A' ' 45' ' ' LEU . 8.9 p -85.13 139.34 36.63 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 175.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -37.04 105.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.69 2.927 . . . . 0.0 113.532 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.518 ' HA ' ' HB2' ' A' ' 54' ' ' CYS . 4.4 pt20 -72.92 -13.2 61.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.998 -173.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.471 HG23 ' HG3' ' A' ' 53' ' ' GLN . 10.5 t -71.58 -9.72 58.66 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.439 0.638 . . . . 0.0 110.078 175.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.471 ' HG3' HG23 ' A' ' 52' ' ' THR . 25.6 mt-30 -136.23 23.34 3.24 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.518 ' HB2' ' HA ' ' A' ' 51' ' ' GLN . 53.1 t -50.93 -55.43 17.24 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.009 -173.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -59.74 -45.31 92.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 111.058 -176.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.18 -49.44 74.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.157 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.8 mt -70.79 -38.62 73.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.586 -174.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.76 98.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.21 0.528 . . . . 0.0 111.037 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -76.09 -30.08 58.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.971 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.45 -48.69 74.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.269 174.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -54.78 -45.56 74.29 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.046 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.632 ' O ' HG12 ' A' ' 66' ' ' ILE . 55.9 m -57.79 -57.76 11.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.088 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -58.2 -42.94 87.24 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.2 m -70.01 -30.17 67.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.832 0.348 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.7 tp -67.93 -39.33 83.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.134 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.632 HG12 ' O ' ' A' ' 62' ' ' SER . 26.4 mm -58.59 -49.1 83.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.032 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -63.61 -35.3 80.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.768 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.5 92.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.59 177.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.4 t -62.5 -45.33 99.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.784 177.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 66' ' ' ILE . 30.7 mtpp -58.58 -46.06 87.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.713 178.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.1 m -66.88 -31.66 72.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.068 0.461 . . . . 0.0 111.092 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -58.0 -45.94 86.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.964 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 tt -89.66 -51.09 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.664 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -73.31 126.41 30.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.919 0.39 . . . . 0.0 111.662 -168.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -124.3 6.63 8.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -72.97 101.5 3.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.031 0.443 . . . . 0.0 110.151 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -91.11 86.43 6.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.484 -177.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -176.08 110.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -80.48 28.43 0.32 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -172.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.2 t60 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.27 -0.871 . . . . 0.0 109.068 172.439 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.612 0.244 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.1 121.13 21.04 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.231 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -93.85 -73.35 0.57 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.346 0.594 . . . . 0.0 110.478 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.402 ' HB3' ' H ' ' B' ' 5' ' ' SER . 27.2 m80 -129.59 -165.56 1.54 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.173 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.402 ' H ' ' HB3' ' B' ' 4' ' ' HIS . 17.8 p -62.63 125.37 23.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.165 0.507 . . . . 0.0 111.894 -175.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -103.62 12.05 35.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.932 174.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -83.57 44.07 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.175 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.8 m -86.88 142.22 28.2 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.151 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.58 -29.51 66.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.28 -35.76 71.44 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.077 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -75.83 -41.65 51.96 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.195 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.681 ' O ' HG21 ' B' ' 16' ' ' VAL . 50.5 tp -59.29 -56.69 18.88 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.277 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 42.0 m -56.23 -36.45 68.49 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.885 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.39 -46.04 83.88 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.869 0.366 . . . . 0.0 110.847 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 71.9 mt -70.01 -48.71 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.052 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.681 HG21 ' O ' ' B' ' 12' ' ' LEU . 2.6 t -63.45 -44.51 98.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.715 -177.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -64.56 -38.85 92.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.911 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.788 ' O ' HG21 ' B' ' 22' ' ' VAL . 30.3 t70 -65.43 -47.19 77.06 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 51.4 tpp -54.57 -42.1 70.63 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.415 0.447 . . . . 0.0 110.839 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.63 -46.11 95.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.585 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.49 90.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.788 HG21 ' O ' ' B' ' 18' ' ' ASP . 46.3 t -64.88 -41.4 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.133 0.492 . . . . 0.0 110.02 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 66.9 tp -62.63 -35.99 81.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.601 176.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -75.69 -30.86 59.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.714 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 tppp? -62.82 -48.82 77.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.906 177.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -79.07 -25.72 43.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.257 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.448 ' HE2' ' HB2' ' B' ' 27' ' ' LYS . 18.1 ttmm 57.51 81.87 0.13 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.689 -1.142 . . . . 0.0 111.647 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.23 134.53 20.28 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.08 175.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -68.77 160.74 48.36 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.19 1.927 . . . . 0.0 111.374 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 p -57.1 -26.4 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 120.834 0.35 . . . . 0.0 110.865 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.18 -68.61 0.26 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.708 0.766 . . . . 0.0 110.28 176.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.38 -32.05 69.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.353 -175.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 31.5 t -64.48 -36.07 82.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.649 0.261 . . . . 0.0 110.482 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 tp -67.84 -43.11 80.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.984 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.67 -43.57 98.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.634 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.471 ' HA ' HG21 ' A' ' 16' ' ' VAL . . . -57.11 -51.42 69.38 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.014 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.13 -37.4 85.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.598 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.63 -46.96 93.14 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.26 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.46 -43.98 72.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.67 0.272 . . . . 0.0 110.455 178.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 26.8 ttt -58.99 -47.31 85.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.948 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.23 90.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -62.75 -50.93 69.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.692 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.531 ' O ' HG21 ' B' ' 47' ' ' THR . 5.3 m-20 -55.2 -42.25 73.03 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.382 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.79 -52.83 39.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.761 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.632 HD13 ' HA ' ' B' ' 58' ' ' ALA . 96.0 mt -68.74 -5.68 21.97 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -174.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 12.5 p -103.47 -12.1 17.37 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.531 HG21 ' O ' ' B' ' 43' ' ' ASN . 11.3 t -137.95 -19.91 1.14 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -175.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 93.5 p -91.49 -3.25 56.76 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 118.475 0.58 . . . . 0.0 110.862 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.671 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 34.9 m -128.75 178.54 1.62 Allowed Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.16 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.671 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 72.4 Cg_exo -50.32 111.44 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 121.938 1.758 . . . . 0.0 111.321 171.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -64.74 -29.94 70.94 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -171.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 10.0 t -81.02 -6.9 59.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.226 0.536 . . . . 0.0 110.115 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.651 ' HB2' ' HB2' ' B' ' 50' ' ' PRO . 27.6 mt-30 -119.37 20.19 12.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.913 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 p -53.89 -46.3 71.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.864 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.24 -26.39 62.89 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.895 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.65 -42.97 63.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.866 0.365 . . . . 0.0 110.338 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.495 ' HG ' ' HB ' ' B' ' 49' ' ' VAL . 4.4 mm? -66.78 -32.5 73.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.279 176.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.632 ' HA ' HD13 ' B' ' 45' ' ' LEU . . . -62.86 -43.98 97.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.437 175.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -63.08 -40.62 98.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.454 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.11 -44.31 96.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.642 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -63.89 -41.37 97.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.878 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.666 ' O ' HG12 ' B' ' 66' ' ' ILE . 47.8 t -57.31 -56.52 20.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.727 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -55.48 -37.44 67.81 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.444 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 29.5 m -64.21 -40.92 97.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.396 177.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.73 -40.93 84.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.666 HG12 ' O ' ' B' ' 62' ' ' SER . 27.7 mm -57.63 -45.55 86.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.075 0.464 . . . . 0.0 110.057 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . 0.518 ' HA ' ' HE2' ' B' ' 70' ' ' LYS . 34.4 m-80 -69.09 -34.8 75.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.144 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.09 -51.97 53.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.847 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.49 -44.09 88.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.544 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' B' ' 67' ' ' ASN . 37.6 ttpt -56.43 -51.65 67.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.165 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 15.2 m -73.09 -25.97 61.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.854 0.359 . . . . 0.0 111.486 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.89 -42.78 76.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 54.2 tp -84.44 -47.78 10.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.19 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -88.06 107.32 18.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.068 0.461 . . . . 0.0 110.181 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -92.44 -1.05 57.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.291 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -87.94 82.78 7.16 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -143.1 78.81 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.201 0.524 . . . . 0.0 110.741 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 68.87 146.22 0.05 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 114.94 -1.027 . . . . 0.0 112.181 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -133.88 134.22 42.44 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.408 175.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.505 -0.759 . . . . 0.0 110.131 -176.862 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.95 27.97 8.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.209 0.528 . . . . 0.0 110.542 -175.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -67.29 -18.43 65.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.622 -177.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -88.26 15.21 7.95 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.611 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -92.91 15.11 15.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.979 0.418 . . . . 0.0 110.856 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -86.13 50.57 2.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.134 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 59.1 t80 62.47 81.84 0.19 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.499 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.504 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 28.5 t -111.52 136.33 50.84 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.408 -178.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -66.14 -23.82 66.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.17 -32.51 29.93 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.579 178.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.504 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 58.2 tt0 -68.36 -41.45 80.63 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.303 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.7 tp -54.1 -56.32 19.24 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.912 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.499 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 4.4 p -74.29 -21.31 59.8 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 120.338 -0.545 . . . . 0.0 112.176 -174.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.76 85.76 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 171.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.1 mt -70.58 -54.69 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.428 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 20' ' ' ILE . 7.8 p -70.48 -31.94 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.477 -0.489 . . . . 0.0 112.136 -174.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.499 ' HB3' ' O ' ' A' ' 13' ' ' SER . 7.5 t30 -75.53 -29.79 59.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.135 -0.353 . . . . 0.0 110.319 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.743 ' O ' HG21 ' A' ' 22' ' ' VAL . 37.5 t70 -71.98 -39.52 69.23 Favored 'General case' 0 C--O 1.214 -0.803 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 173.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.3 ttm -54.01 -44.94 71.35 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.725 0.64 . . . . 0.0 111.06 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 16' ' ' VAL . 73.5 mt -62.51 -39.28 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.298 176.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 25' ' ' LYS . . . -65.55 -36.62 84.33 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.673 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.743 HG21 ' O ' ' A' ' 18' ' ' ASP . 44.4 t -63.91 -38.0 81.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.014 0.435 . . . . 0.0 110.434 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 tt -60.15 -50.08 75.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.862 176.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.52 -17.27 61.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.398 0.618 . . . . 0.0 110.756 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 23.4 tptp -77.54 -37.46 50.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.663 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -84.61 -18.24 36.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.574 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm 62.97 37.81 11.56 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.732 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.52 142.06 23.96 Favored Pre-proline 0 N--CA 1.446 -0.659 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.81 158.25 51.91 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.249 1.966 . . . . 0.0 112.018 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.522 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 12.7 p -55.35 -26.77 19.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.033 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 35' ' ' ILE . 4.1 m-20 -63.54 -66.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.319 0.58 . . . . 0.0 110.549 178.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.51 -38.79 87.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.288 -173.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.9 m -69.14 -27.75 65.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.981 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 4.2 tt -74.17 -35.96 64.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 31' ' ' ASP . 57.6 mt -61.08 -37.77 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.244 176.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.456 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.24 -44.42 95.26 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.137 0.494 . . . . 0.0 110.294 175.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.96 -43.15 95.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.285 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.34 -42.93 99.7 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.476 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -58.81 -44.1 90.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.853 0.359 . . . . 0.0 110.671 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.884 ' HE2' HD11 ' B' ' 23' ' ' LEU . 26.8 ttt -73.81 -39.99 63.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -177.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.59 -49.35 77.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.29 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 p -64.72 -43.37 93.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.087 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -57.17 -46.25 82.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.44 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.448 HD11 ' HE1' ' A' ' 40' ' ' MET . 66.9 mt -71.3 -42.66 68.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.663 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.464 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 88.6 mt -72.94 -11.97 60.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.84 -174.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.499 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 16.8 p -98.37 -22.33 16.13 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.366 177.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.8 p -97.31 -49.59 4.88 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -103.58 23.89 11.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.766 0.317 . . . . 0.0 111.148 -172.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 5.9 p -76.89 116.11 54.19 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.014 0.435 . . . . 0.0 111.334 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.55 ' HD2' ' HB2' ' A' ' 54' ' ' CYS . 16.7 Cg_exo -67.85 -23.83 40.95 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.57 2.18 . . . . 0.0 111.858 176.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 70.83 -57.13 0.6 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.232 1.013 . . . . 0.0 112.029 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 p -42.11 -54.09 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 124.172 0.92 . . . . 0.0 112.908 -171.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -115.34 -13.39 11.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.33 0.586 . . . . 0.0 110.365 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.55 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 41.9 t -70.64 -36.2 73.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.517 -173.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.75 -41.49 95.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.169 0.509 . . . . 0.0 109.817 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.69 -52.68 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.846 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' HA ' HD11 ' A' ' 57' ' ' LEU . 4.3 mm? -62.85 -32.7 73.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.57 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.16 -49.98 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.945 0.402 . . . . 0.0 110.343 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.6 HE21 HG13 ' B' ' 66' ' ' ILE . 46.5 mm-40 -66.12 -33.82 76.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 177.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.13 -50.2 64.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.837 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -63.88 -38.57 91.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.116 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.59 ' O ' HG12 ' A' ' 66' ' ' ILE . 36.1 t -54.98 -57.97 9.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.212 176.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -63.4 -26.9 68.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.699 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.3 m -63.04 -42.52 99.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.77 -41.46 83.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.242 176.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 62' ' ' SER . 30.3 mm -57.02 -49.22 80.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.611 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -67.88 -30.45 69.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.59 -46.64 78.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.85 0.357 . . . . 0.0 110.22 176.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.79 -43.37 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.274 176.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.457 ' HG2' ' OE2' ' A' ' 74' ' ' GLU . 22.5 ttpp -52.34 -55.4 21.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.266 176.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.2 m -61.86 -32.62 72.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.136 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -68.05 -35.66 78.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 0.0 110.848 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 73' ' ' LEU . 4.1 mm? -83.25 -19.46 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.234 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.457 ' OE2' ' HG2' ' A' ' 70' ' ' LYS . 45.5 mt-10 -84.23 -52.27 6.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.288 0.566 . . . . 0.0 110.688 175.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -97.45 115.17 27.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.477 -173.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -122.06 -55.32 1.88 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.337 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -130.91 107.79 9.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -111.48 138.23 48.27 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 172.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -64.19 -84.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.875 0.369 . . . . 0.0 111.044 -176.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.9 m170 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.349 -0.834 . . . . 0.0 109.609 176.706 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.728 0.299 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.49 10.86 35.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.335 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -106.67 111.82 24.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -138.91 135.05 34.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.003 0.43 . . . . 0.0 110.436 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.442 ' C ' ' H ' ' B' ' 7' ' ' TYR . 77.9 p -116.72 159.03 22.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.346 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt 73.4 -30.6 0.21 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.503 0.721 . . . . 0.0 111.891 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.442 ' H ' ' C ' ' B' ' 5' ' ' SER . 10.3 t80 -80.66 57.26 2.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.404 0.621 . . . . 0.0 109.554 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m -103.81 146.37 28.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.61 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.01 -28.01 69.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.4 -32.27 60.7 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.684 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.542 ' O ' HG13 ' B' ' 15' ' ' ILE . 7.9 tp-100 -71.78 -44.54 63.82 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.638 178.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.635 ' O ' HG21 ' B' ' 16' ' ' VAL . 61.2 tp -55.09 -53.55 54.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.784 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -57.21 -41.96 80.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.985 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.17 85.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.888 0.375 . . . . 0.0 111.032 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.542 HG13 ' O ' ' B' ' 11' ' ' GLN . 80.9 mt -67.37 -51.31 53.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.194 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.635 HG21 ' O ' ' B' ' 12' ' ' LEU . 1.9 t -66.01 -41.56 89.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 110.53 -176.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -63.58 -38.76 92.34 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.591 -177.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.714 ' O ' HG21 ' B' ' 22' ' ' VAL . 30.0 t70 -70.08 -45.59 66.69 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 6.5 mmm -52.23 -46.03 65.53 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.359 0.412 . . . . 0.0 111.566 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.5 -43.87 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 0.0 110.395 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -66.33 -35.41 80.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.277 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.714 HG21 ' O ' ' B' ' 18' ' ' ASP . 67.8 t -56.87 -47.06 83.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.035 0.445 . . . . 0.0 110.534 177.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.884 HD11 ' HE2' ' A' ' 40' ' ' MET . 61.1 mt -77.42 -28.84 52.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.126 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.64 -36.56 81.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.074 0.464 . . . . 0.0 110.732 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 58.7 mttp -63.19 -30.94 71.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.927 -178.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -102.38 -11.35 18.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.791 0.329 . . . . 0.0 110.527 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt 62.91 96.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.277 -174.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.481 ' HB3' ' HB2' ' B' ' 33' ' ' SER . . . -90.56 109.09 31.68 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 172.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.54 36.62 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.13 2.553 . . . . 0.0 113.656 -173.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 90.8 t 73.52 -50.9 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 123.215 0.606 . . . . 0.0 111.472 -178.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.529 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.5 m-20 -51.91 -70.31 0.09 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.164 0.507 . . . . 0.0 110.775 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.22 -29.89 69.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.263 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.575 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 25.5 t -63.93 -54.04 40.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.403 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.08 -30.91 71.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.522 -176.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.529 HG13 ' O ' ' B' ' 31' ' ' ASP . 47.5 mt -70.51 -49.1 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.133 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.443 ' HB1' ' HB ' ' A' ' 16' ' ' VAL . . . -55.06 -50.14 69.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.633 0.254 . . . . 0.0 111.147 172.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' B' ' 33' ' ' SER . 82.0 mt -59.9 -40.32 88.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.477 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.65 -46.03 86.14 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.158 177.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -52.59 -50.15 63.59 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.127 0.489 . . . . 0.0 110.123 175.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.614 ' HE3' HD11 ' B' ' 44' ' ' LEU . 12.9 tpt -65.02 -49.93 68.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.141 -179.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.09 -46.66 85.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.383 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.5 m -56.88 -51.76 67.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.881 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -62.53 -40.34 96.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.732 -176.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.614 HD11 ' HE3' ' B' ' 40' ' ' MET . 54.6 mt -67.65 -50.69 56.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.576 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.54 -15.22 63.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.755 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.0 p -101.13 -4.76 26.7 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.914 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 27.2 m -118.22 -39.12 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.739 0.304 . . . . 0.0 111.466 -177.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -93.23 17.66 10.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.995 0.426 . . . . 0.0 110.954 -176.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.851 HG22 ' HB3' ' B' ' 54' ' ' CYS . 4.2 p -92.51 115.13 64.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -178.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' B' ' 49' ' ' VAL . 22.3 Cg_endo -64.82 -54.48 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.266 1.977 . . . . 0.0 110.742 173.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -179.75 -87.12 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.754 172.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 38.5 m -87.21 -32.69 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.93 -171.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -55.47 -45.73 76.92 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.273 0.558 . . . . 0.0 110.242 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . 0.851 ' HB3' HG22 ' B' ' 49' ' ' VAL . 47.7 t -79.8 -34.45 39.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.147 -178.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.08 -55.3 36.76 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.914 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.42 69.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.302 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.88 -34.78 78.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.716 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.9 -50.43 72.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.696 0.284 . . . . 0.0 110.655 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.88 -47.58 84.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.71 76.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.529 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.532 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 73.7 t80 -62.73 -43.49 98.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.799 -178.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.407 ' O ' HG12 ' B' ' 66' ' ' ILE . 25.0 t -61.32 -48.61 80.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.702 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -65.6 -33.47 75.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 6.0 t -65.28 -32.23 73.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.987 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 86.6 mt -66.88 -39.53 87.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.165 176.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.6 HG13 HE21 ' A' ' 59' ' ' GLN . 7.8 mm -62.05 -41.12 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 177.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -65.02 -39.38 93.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.675 176.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.95 98.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.43 HG22 ' O ' ' B' ' 65' ' ' LEU . 87.9 t -58.7 -47.36 89.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.074 0.464 . . . . 0.0 110.045 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -59.32 -44.07 92.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.731 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 23.6 m -69.91 -33.57 72.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.668 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.499 ' HD3' ' O ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -76.77 -34.04 58.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.342 -178.535 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 9.3 tt -75.86 -21.64 57.01 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.116 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.92 114.56 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.691 177.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.8 85.54 2.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.193 0.521 . . . . 0.0 109.912 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -84.58 -6.93 59.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.614 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 31.6 m80 75.21 112.88 0.07 Allowed 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.957 0.786 . . . . 0.0 111.821 175.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -107.86 1.99 23.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.511 0.672 . . . . 0.0 110.229 175.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -137.69 123.1 19.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.951 -178.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 . . . . . 0 C--O 1.244 0.78 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.83 179.064 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptm . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.971 0.415 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.8 98.26 7.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.643 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.448 ' C ' ' H ' ' A' ' 5' ' ' SER . 22.3 mt-30 -127.92 157.71 39.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.461 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 7' ' ' TYR . 32.8 t-80 72.68 -29.93 0.21 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.662 0.785 . . . . 0.0 111.638 178.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.448 ' H ' ' C ' ' A' ' 3' ' ' GLN . 30.5 t -57.08 110.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 175.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm 75.43 -14.76 0.74 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.766 0.826 . . . . 0.0 111.193 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.42 ' HB2' ' HA ' ' A' ' 4' ' ' HIS . 86.8 m-85 -81.94 58.54 3.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.226 0.536 . . . . 0.0 110.918 -178.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.776 ' HB2' ' HB2' ' A' ' 11' ' ' GLN . 21.8 m -101.66 134.44 44.8 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.56 -30.38 60.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.283 0.563 . . . . 0.0 109.61 177.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.75 -33.66 46.34 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.258 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.776 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 0.0 OUTLIER -70.45 -47.71 59.35 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.64 ' O ' HG22 ' A' ' 16' ' ' VAL . 64.5 tp -57.59 -50.86 71.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.69 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.7 m -55.3 -41.36 72.24 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.349 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.31 92.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.902 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.98 -46.06 85.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 12' ' ' LEU . 2.6 t -63.92 -43.27 97.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.017 0.437 . . . . 0.0 110.151 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -67.78 -22.9 65.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.062 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.766 ' O ' HG22 ' A' ' 22' ' ' VAL . 28.9 t70 -75.01 -44.12 49.84 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.22 -37.61 75.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.848 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.6 mt -66.93 -40.57 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.411 . . . . 0.0 110.134 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.59 84.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.362 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.839 HG21 HG21 ' B' ' 22' ' ' VAL . 60.1 t -58.84 -48.32 86.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.101 174.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.679 ' HG ' ' HB1' ' A' ' 28' ' ' ALA . 8.6 tt -55.69 -46.69 77.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.821 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -72.41 -37.67 68.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.954 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -63.08 -48.4 78.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.091 -179.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -89.25 10.63 21.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.669 -176.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HZ2' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER 57.27 58.91 3.61 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.675 174.71 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.679 ' HB1' ' HG ' ' A' ' 23' ' ' LEU . . . -97.53 113.0 62.79 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.173 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.62 163.47 37.32 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.278 1.986 . . . . 0.0 110.879 174.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.1 m -55.9 -30.85 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 120.575 0.226 . . . . 0.0 111.593 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.53 ' HB3' ' HE1' ' B' ' 7' ' ' TYR . 3.5 m-20 -60.21 -64.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.409 0.623 . . . . 0.0 110.686 176.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' B' ' 7' ' ' TYR . 96.9 mt -72.24 -32.46 66.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.191 -173.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.6 p -66.82 -36.52 82.56 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.436 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.8 -42.22 90.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.804 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 31' ' ' ASP . 55.5 mt -66.28 -38.35 81.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.611 177.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.476 ' CB ' HG21 ' B' ' 16' ' ' VAL . . . -60.8 -48.36 82.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.57 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.09 -39.55 92.82 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.332 177.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.86 -45.05 93.7 Favored Glycine 0 C--O 1.236 0.239 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.52 177.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -59.68 -46.34 89.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 110.403 177.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.403 ' HE1' HD21 ' A' ' 44' ' ' LEU . 12.7 tpt -70.99 -34.65 71.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.066 -178.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.432 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.12 -57.18 13.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.777 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 p -62.42 -37.58 86.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.661 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -56.99 -52.52 64.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.852 176.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.403 HD21 ' HE1' ' A' ' 40' ' ' MET . 60.2 mt -67.7 -38.27 83.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.724 -178.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.439 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 91.4 mt -64.89 -23.76 67.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.295 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.5 p -101.54 11.02 39.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.873 0.368 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.9 m -127.06 -51.21 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.0 t -92.63 -60.02 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -170.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.7 m -69.65 153.23 95.83 Favored Pre-proline 0 C--N 1.327 -0.373 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.181 -175.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.88 119.32 5.85 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.971 2.447 . . . . 0.0 111.716 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.22 -25.77 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.03 -173.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.0 m -77.82 -11.5 59.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.379 0.609 . . . . 0.0 110.823 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.534 ' HG2' ' HG ' ' A' ' 57' ' ' LEU . 55.1 tt0 -124.96 10.95 8.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.452 0.644 . . . . 0.0 109.431 -178.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 48.2 t -61.74 -61.07 2.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.821 -173.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -19.7 64.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.72 0.295 . . . . 0.0 111.475 -176.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.43 -52.31 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.959 0.409 . . . . 0.0 110.118 174.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.534 ' HG ' ' HG2' ' A' ' 53' ' ' GLN . 93.5 mt -64.99 -34.04 77.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.81 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.3 -45.98 92.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.782 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.556 HE21 HG13 ' B' ' 66' ' ' ILE . 62.0 mm-40 -68.36 -35.3 77.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.24 70.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.436 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 65.1 t80 -61.63 -40.98 96.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.926 178.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.613 ' O ' HG12 ' A' ' 66' ' ' ILE . 48.1 t -54.96 -59.38 4.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.924 177.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.71 -32.66 71.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.286 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.2 m -62.12 -43.51 98.66 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 94.1 mt -63.62 -43.92 95.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.589 177.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.613 HG12 ' O ' ' A' ' 62' ' ' SER . 18.8 mm -57.72 -45.29 86.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.136 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -69.24 -35.88 76.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.153 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.49 -50.19 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.939 0.399 . . . . 0.0 110.662 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.59 -33.29 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.957 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 19.3 tptt -60.24 -37.6 80.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.86 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.4 m -83.48 -33.37 25.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.091 0.472 . . . . 0.0 110.579 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -57.88 -52.35 65.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.58 0.705 . . . . 0.0 110.039 176.485 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.9 tp -76.21 -57.14 4.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.918 177.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 75' ' ' HIS . 25.5 tt0 62.86 -73.39 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.805 0.691 . . . . 0.0 110.745 -171.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.504 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 9.5 t60 160.24 -16.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -174.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 25.3 t60 71.59 77.63 0.17 Allowed 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 114.336 -1.302 . . . . 0.0 108.779 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -58.15 116.4 3.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.742 -1.117 . . . . 0.0 112.761 -173.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -132.85 28.87 4.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.518 169.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -129.84 13.33 5.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.422 176.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 117.881 -1.057 . . . . 0.0 108.994 -175.347 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.9 mmm . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.33 -20.1 60.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.84 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.29 98.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.135 0.493 . . . . 0.0 111.434 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -124.53 86.87 2.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.009 173.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.7 p -130.42 162.03 30.04 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.035 0.445 . . . . 0.0 111.328 -174.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -101.51 -54.19 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.072 175.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.559 ' HA ' HD23 ' A' ' 32' ' ' LEU . 62.6 m-85 -136.62 85.17 2.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.832 -175.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.492 ' HB3' ' HB3' ' B' ' 11' ' ' GLN . 44.9 t -95.43 114.78 26.58 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.82 -15.78 63.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.273 0.559 . . . . 0.0 109.616 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.26 -38.91 18.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.078 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.492 ' HB3' ' HB3' ' B' ' 8' ' ' SER . 51.0 tt0 -72.59 -39.09 67.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.587 176.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.634 ' O ' HG23 ' B' ' 16' ' ' VAL . 57.7 tp -57.31 -57.52 12.26 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.572 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 8.4 p -56.73 -40.97 76.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.049 -177.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' B' ' 18' ' ' ASP . . . -60.28 -34.98 74.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.299 176.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 11' ' ' GLN . 98.5 mt -74.56 -48.63 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.992 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.4 t -62.28 -44.19 98.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.34 0.591 . . . . 0.0 109.657 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -64.86 -30.18 71.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.679 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' B' ' 14' ' ' ALA . 3.6 t70 -66.82 -44.81 80.19 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.474 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 66.5 mtt -60.29 -42.56 95.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.546 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 16' ' ' VAL . 69.5 mt -61.87 -48.54 88.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.077 0.465 . . . . 0.0 110.383 176.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.69 97.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.875 -177.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.839 HG21 HG21 ' A' ' 22' ' ' VAL . 32.9 m -72.24 -28.94 30.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.941 -0.303 . . . . 0.0 111.177 -179.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 19' ' ' MET . 66.9 mt -71.17 -35.32 71.58 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 176.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -81.0 -21.27 40.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.956 0.408 . . . . 0.0 110.773 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -68.61 -41.3 79.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.185 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . 0.473 ' HD2' ' HB1' ' B' ' 28' ' ' ALA . 70.3 t60 -88.68 -18.98 26.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 171.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 pttp 40.51 80.09 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.533 -1.212 . . . . 0.0 112.771 -175.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.473 ' HB1' ' HD2' ' B' ' 26' ' ' HIS . . . -104.53 156.75 35.42 Favored Pre-proline 0 N--CA 1.447 -0.583 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.703 174.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.557 ' HB2' ' OD1' ' B' ' 31' ' ' ASP . 53.0 Cg_endo -69.7 159.12 54.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.566 1.51 . . . . 0.0 111.181 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 t -59.72 -27.61 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.415 -175.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.557 ' OD1' ' HB2' ' B' ' 29' ' ' PRO . 3.5 p-10 -65.02 -60.86 2.58 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.844 -177.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.88 -43.76 94.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.739 0.304 . . . . 0.0 111.434 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -65.51 -31.63 72.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 -176.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 16.0 tp -77.46 -35.08 54.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.758 0.313 . . . . 0.0 110.231 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.544 HG13 ' O ' ' B' ' 31' ' ' ASP . 80.1 mt -64.73 -37.71 80.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 120.936 0.398 . . . . 0.0 110.152 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.495 ' HA ' HG23 ' A' ' 16' ' ' VAL . . . -61.51 -47.75 84.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.209 174.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.14 -40.24 89.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.982 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.2 -47.5 89.31 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.448 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -62.23 -41.39 98.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.603 0.24 . . . . 0.0 110.958 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.6 ttt -67.87 -41.02 83.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.882 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.55 -51.41 68.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.107 0.479 . . . . 0.0 110.061 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 16.3 m -58.86 -47.79 83.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.111 177.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -51.46 -48.98 62.61 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.604 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.66 -47.98 67.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.679 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.451 ' HG ' HG13 ' B' ' 49' ' ' VAL . 5.6 mp -77.12 -1.5 29.52 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -174.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.2 p -112.28 4.86 17.99 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.5 m -137.48 -42.29 0.55 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.6 t -125.6 29.66 5.93 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.009 -0.676 . . . . 0.0 112.533 -169.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.535 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 28.5 m -123.09 169.05 10.67 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.535 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 72.5 Cg_exo -51.39 109.87 0.36 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.37 2.046 . . . . 0.0 111.524 174.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.15 -45.07 94.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.175 -172.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 5.8 m -85.0 -6.43 59.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.133 0.492 . . . . 0.0 110.992 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.422 ' HB3' ' HB2' ' B' ' 50' ' ' PRO . 8.3 tt0 -126.06 21.22 7.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.525 0.679 . . . . 0.0 109.931 -176.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 6.1 p -63.67 -54.59 33.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.553 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.61 -34.51 71.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.95 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.5 -51.92 65.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.37 -40.27 93.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.047 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.35 69.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.288 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -68.31 -39.52 81.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.67 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.71 -53.82 50.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.994 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -61.38 -38.42 86.96 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.049 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.583 ' O ' HG12 ' B' ' 66' ' ' ILE . 39.4 t -62.24 -51.55 67.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.82 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -62.81 -40.88 98.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.966 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 64.3 p -69.96 -25.02 63.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.0 110.424 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.433 ' O ' HG22 ' B' ' 69' ' ' VAL . 28.6 tp -72.13 -37.16 69.51 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 177.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.583 HG12 ' O ' ' B' ' 62' ' ' SER . 14.2 mm -62.15 -42.21 94.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -63.28 -41.72 99.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.827 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' B' ' 72' ' ' ARG . . . -60.79 -47.03 88.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.93 177.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.433 HG22 ' O ' ' B' ' 65' ' ' LEU . 82.7 t -59.0 -43.06 88.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.892 0.377 . . . . 0.0 110.358 176.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -59.27 -43.45 92.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.57 175.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 27.5 m -66.78 -24.53 66.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.052 0.453 . . . . 0.0 111.09 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' B' ' 68' ' ' ALA . 53.9 mmt-85 -78.16 -43.13 29.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.059 0.457 . . . . 0.0 109.973 175.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 8.7 tt -71.37 -39.87 70.97 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.797 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -73.79 82.34 1.62 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.122 0.487 . . . . 0.0 110.426 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -77.76 117.82 19.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.567 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.439 ' C ' ' H ' ' B' ' 78' ' ' HIS . 34.7 t-80 -75.85 -13.78 60.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.396 0.617 . . . . 0.0 109.85 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -80.93 34.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.631 175.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . 0.439 ' H ' ' C ' ' B' ' 76' ' ' HIS . 57.8 t-80 -115.02 111.33 20.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.087 -178.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -152.0 91.59 1.64 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.202 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.493 -0.765 . . . . 0.0 109.672 177.562 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ttt . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.927 0.394 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.04 96.66 10.6 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -177.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -77.87 96.28 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -70.04 168.52 15.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.294 -176.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -62.34 113.97 3.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.702 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -85.73 14.36 5.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.773 0.321 . . . . 0.0 110.849 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.448 ' HD1' ' HB2' ' B' ' 32' ' ' LEU . 56.1 m-85 62.43 75.3 0.41 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.994 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 11' ' ' GLN . 6.3 m -101.2 132.81 46.51 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -63.69 -23.37 67.35 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.6 -34.94 40.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 109.587 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.461 ' CB ' ' HB2' ' A' ' 8' ' ' SER . 34.7 tt0 -70.54 -38.26 74.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.044 177.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 16' ' ' VAL . 62.7 tp -58.39 -55.5 34.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.361 175.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.8 m -51.78 -42.57 62.52 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.478 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.22 91.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.02 0.438 . . . . 0.0 111.282 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.6 mt -68.91 -47.67 74.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.3 t -64.17 -41.05 91.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.968 0.413 . . . . 0.0 110.283 -178.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -64.09 -33.57 76.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.435 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.725 ' O ' HG21 ' A' ' 22' ' ' VAL . 35.0 t70 -65.94 -48.19 72.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.9 mtt -55.74 -40.41 72.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.224 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 16' ' ' VAL . 77.9 mt -58.31 -45.99 89.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.966 0.412 . . . . 0.0 110.21 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.75 -44.75 84.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.511 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.725 HG21 ' O ' ' A' ' 18' ' ' ASP . 42.8 t -56.3 -46.78 81.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.137 0.494 . . . . 0.0 110.66 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.47 -39.26 90.24 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.654 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -72.89 -39.77 66.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.368 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -61.98 -46.75 87.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -176.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -80.33 -20.83 43.34 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt 62.71 84.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.341 -175.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.17 111.54 63.68 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.2 162.27 30.58 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.316 2.011 . . . . 0.0 111.583 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -48.71 -33.6 5.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 O-C-N 123.5 0.5 . . . . 0.0 111.036 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.518 ' O ' HG13 ' A' ' 35' ' ' ILE . 2.8 m-20 -55.8 -71.56 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.509 0.671 . . . . 0.0 110.894 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.8 mt -68.47 -30.22 69.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.416 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.4 t -61.0 -48.17 83.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.612 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.6 mt -68.17 -38.45 82.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.011 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 31' ' ' ASP . 45.8 mt -67.4 -38.59 81.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.826 0.346 . . . . 0.0 110.631 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.478 ' HA ' HG21 ' B' ' 16' ' ' VAL . . . -62.9 -44.72 95.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.306 175.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.629 ' HG ' HD13 ' B' ' 37' ' ' LEU . 8.0 tt -59.44 -44.4 92.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.979 177.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.32 -51.08 61.26 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.467 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -61.14 -40.19 92.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.699 0.285 . . . . 0.0 111.085 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.451 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 27.6 ttt -65.3 -51.25 61.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.0 75.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.596 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.3 p -63.83 -40.14 95.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -63.75 -36.93 85.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.725 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 40' ' ' MET . 63.7 mt -73.18 -45.3 57.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.211 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.527 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 95.0 mt -67.02 -19.39 65.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.577 -177.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -96.74 -5.03 39.61 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.127 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.1 m -106.61 -54.33 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.606 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.3 m -95.7 24.85 4.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -176.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 2.3 p -56.79 123.16 56.79 Favored Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.424 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -66.79 -84.65 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 122.719 2.28 . . . . 0.0 112.537 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -137.02 -114.09 0.17 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.2 m -101.61 -16.24 16.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.76 0.791 . . . . 0.0 110.319 -178.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -73.56 -1.7 19.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.009 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.4 p -58.36 -48.15 81.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.365 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.42 ' HB3' HG22 ' B' ' 66' ' ' ILE . 23.5 mt-10 -62.52 -47.84 82.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.952 176.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.57 -50.25 74.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.76 -175.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.6 -37.9 83.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.202 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.06 92.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.966 0.412 . . . . 0.0 110.598 178.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -66.2 -45.29 81.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.067 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.19 70.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.276 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -57.2 -51.35 69.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.682 ' O ' HG12 ' A' ' 66' ' ' ILE . 20.8 p -65.57 -52.36 52.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.072 -176.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -53.48 -47.21 69.99 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.597 0.359 . . . . 0.0 111.127 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.6 t -67.24 -33.99 76.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.3 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.577 HD13 ' HA ' ' B' ' 42' ' ' SER . 30.4 tp -65.88 -39.44 90.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.084 177.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.682 HG12 ' O ' ' A' ' 62' ' ' SER . 21.0 mm -62.91 -43.81 99.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 121.586 0.707 . . . . 0.0 109.524 176.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -65.02 -34.2 77.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.07 94.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.22 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.15 -44.04 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.21 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -58.83 -36.56 74.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.072 0.463 . . . . 0.0 110.851 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.0 m -75.8 -21.69 57.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.953 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.1 -47.25 37.55 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 73' ' ' LEU . 3.9 mm? -68.97 -37.48 78.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.817 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -83.25 77.22 9.81 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.68 0.752 . . . . 0.0 109.841 175.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -119.12 94.28 4.38 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.902 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -71.18 124.13 23.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.14 -175.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -167.19 130.02 1.74 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.185 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -161.0 -55.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.606 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -152.42 -175.78 5.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.4 m170 . . . . . 0 C--O 1.243 0.731 0 CA-C-O 118.493 -0.765 . . . . 0.0 109.346 174.133 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 71.9 mtm . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.88 37.43 2.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.526 0.679 . . . . 0.0 109.462 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -83.35 84.17 7.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.023 -172.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -139.3 161.88 36.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.218 175.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -78.65 67.48 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.086 0.47 . . . . 0.0 111.906 -175.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -174.12 77.85 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.984 0.897 . . . . 0.0 108.624 172.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -57.51 -34.74 69.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.2 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 44.2 m -160.47 95.59 1.13 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.114 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -70.44 -16.26 62.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.162 0.506 . . . . 0.0 109.653 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.99 -45.99 75.92 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.524 172.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.49 ' O ' HG13 ' B' ' 15' ' ' ILE . 28.9 mm-40 -59.92 -46.42 89.43 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.927 174.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.697 ' O ' HG23 ' B' ' 16' ' ' VAL . 47.5 tp -55.26 -57.85 10.11 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.009 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 21.5 m -53.65 -42.03 67.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.109 -177.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.04 97.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.702 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.49 HG13 ' O ' ' B' ' 11' ' ' GLN . 85.0 mt -66.22 -47.62 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.697 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.5 t -65.74 -34.84 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.93 -43.86 82.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.264 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.545 ' O ' HG21 ' B' ' 22' ' ' VAL . 3.7 m-20 -63.96 -35.83 81.97 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.565 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.553 ' HE2' ' HE2' ' B' ' 40' ' ' MET . 93.3 mmm -56.52 -42.95 79.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.874 0.369 . . . . 0.0 110.331 175.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 49.5 mm -74.76 -41.74 47.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.13 -47.15 81.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.774 0.321 . . . . 0.0 111.261 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.545 HG21 ' O ' ' B' ' 18' ' ' ASP . 64.5 t -65.55 -32.62 59.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.315 0.579 . . . . 0.0 109.849 178.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.85 -52.4 60.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.871 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -74.61 -22.64 58.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.855 -174.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 11.8 ptmm? -71.97 -22.4 61.45 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -78.67 -27.73 45.22 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 170.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 tptt 66.53 41.75 3.05 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.682 176.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.85 146.49 31.39 Favored Pre-proline 0 N--CA 1.449 -0.524 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.79 158.41 42.65 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.285 1.99 . . . . 0.0 111.432 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 10.4 p -56.6 -24.24 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.494 -177.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.477 ' O ' HG13 ' B' ' 35' ' ' ILE . 14.4 t70 -67.04 -64.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.977 -178.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.448 ' HB2' ' HD1' ' A' ' 7' ' ' TYR . 40.5 tp -63.16 -39.12 93.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.992 -177.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -67.19 -31.16 71.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.046 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 7.2 tt -71.33 -33.61 69.79 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.477 HG13 ' O ' ' B' ' 31' ' ' ASP . 52.2 mt -63.19 -39.18 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.28 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.441 ' CB ' HG21 ' A' ' 16' ' ' VAL . . . -59.58 -42.75 93.21 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.515 174.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.629 HD13 ' HG ' ' A' ' 37' ' ' LEU . 61.8 tp -63.85 -40.55 96.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.568 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.83 -44.77 97.42 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.062 178.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -60.29 -42.06 94.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.982 0.42 . . . . 0.0 110.182 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.553 ' HE2' ' HE2' ' B' ' 19' ' ' MET . 47.7 ttm -61.12 -52.72 63.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.563 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.76 -50.03 71.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.095 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.577 ' HA ' HD13 ' A' ' 65' ' ' LEU . 24.0 m -56.77 -47.94 78.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.739 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -61.93 -39.65 92.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.08 -178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' B' ' 40' ' ' MET . 63.8 mt -65.75 -46.19 79.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.735 0.302 . . . . 0.0 111.235 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.485 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 6.2 mp -70.89 -18.19 62.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.137 0.494 . . . . 0.0 111.82 -177.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 24.4 p -102.05 1.35 36.33 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.048 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 92.4 m -126.62 -45.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.3 m -107.74 23.84 13.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.973 0.416 . . . . 0.0 111.091 -174.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.76 HG21 ' H ' ' B' ' 51' ' ' GLN . 8.2 p -77.34 121.61 84.77 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 121.186 0.517 . . . . 0.0 111.835 -175.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 1.011 ' HD2' ' HB2' ' B' ' 54' ' ' CYS . 11.9 Cg_exo -73.21 2.74 5.25 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.417 2.744 . . . . 0.0 112.456 174.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.76 ' H ' HG21 ' B' ' 49' ' ' VAL . 30.0 tt0 75.53 -57.51 0.58 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.044 0.938 . . . . 0.0 112.424 172.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 8.4 t -95.66 -35.09 11.72 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -171.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -87.52 -39.86 14.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.865 0.365 . . . . 0.0 111.108 -176.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . 1.011 ' HB2' ' HD2' ' B' ' 50' ' ' PRO . 46.1 t -59.54 -40.85 88.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.631 -175.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -59.28 -58.88 6.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 111.166 -177.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.85 84.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.382 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.64 -41.29 84.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.687 -175.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.53 94.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.943 0.402 . . . . 0.0 110.614 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -67.1 -40.0 86.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.437 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.1 -50.48 73.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.751 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -58.75 -46.33 87.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.375 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.702 ' O ' HG12 ' B' ' 66' ' ' ILE . 44.9 m -59.16 -53.82 54.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -38.29 83.54 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 111.243 -178.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 46.4 m -65.78 -36.46 83.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.185 0.517 . . . . 0.0 110.211 177.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.463 ' O ' HG21 ' B' ' 69' ' ' VAL . 14.9 tp -68.25 -40.74 81.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.309 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.702 HG12 ' O ' ' B' ' 62' ' ' SER . 29.5 mm -60.19 -49.06 85.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 -177.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -75.35 -20.94 58.72 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.703 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.56 80.51 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.463 HG21 ' O ' ' B' ' 65' ' ' LEU . 90.8 t -62.43 -40.48 88.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.195 174.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -54.78 -42.17 71.41 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 111.069 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 31.3 m -73.12 -41.71 63.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.895 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -29.36 65.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.956 0.408 . . . . 0.0 110.57 -178.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 42.9 tp -76.5 -27.9 56.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.608 175.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 66.74 14.58 9.85 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.395 172.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -127.97 45.05 2.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.308 0.575 . . . . 0.0 111.536 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -141.05 -66.88 0.42 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.7 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -138.26 69.62 1.39 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -127.48 91.1 3.24 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.653 173.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -91.26 -28.66 17.64 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 t60 . . . . . 0 C--O 1.242 0.681 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.603 174.723 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.45 -167.96 0.19 Allowed 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.701 0.626 . . . . 0.0 111.056 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -90.75 131.74 36.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.944 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -74.3 137.45 42.9 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 m -72.3 87.38 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.277 0.561 . . . . 0.0 111.488 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -120.95 37.82 4.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 174.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 64.48 90.75 0.08 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.882 -169.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.683 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 44.7 t -110.86 108.09 17.78 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 175.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -69.44 -12.98 62.1 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.57 -36.66 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.6 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.683 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 1.0 OUTLIER -68.98 -42.4 76.59 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.624 173.188 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.606 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.1 tm? -54.47 -57.55 10.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.288 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 p -58.65 -41.3 85.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.278 -177.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.99 97.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.302 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 11' ' ' GLN . 88.9 mt -62.29 -46.59 96.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.689 0.28 . . . . 0.0 110.827 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.5 t -70.01 -41.36 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -61.62 -46.91 87.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.169 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.691 ' O ' HG21 ' A' ' 22' ' ' VAL . 10.4 t70 -66.7 -39.84 88.22 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 50.0 tpp -61.89 -34.58 76.3 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.849 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 16' ' ' VAL . 84.2 mt -58.31 -46.88 88.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.188 0.518 . . . . 0.0 109.655 173.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' A' ' 25' ' ' LYS . . . -65.7 -39.57 91.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.747 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.691 HG21 ' O ' ' A' ' 18' ' ' ASP . 53.8 t -59.97 -44.35 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 121.238 0.542 . . . . 0.0 110.343 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.1 tp -65.27 -38.08 89.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.402 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HG3' ' HE2' ' A' ' 27' ' ' LYS . 38.6 tt0 -67.53 -25.99 66.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.961 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 73.7 mmtt -70.38 -26.2 63.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.389 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -105.81 -32.29 8.45 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.979 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' HE2' ' HG3' ' A' ' 24' ' ' GLU . 28.3 mmtp 60.42 81.01 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.975 0.797 . . . . 0.0 111.519 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' C ' ' H ' ' A' ' 30' ' ' VAL . . . -75.24 135.38 73.04 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.749 175.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.02 36.06 0.32 Allowed 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 123.073 2.515 . . . . 0.0 113.43 -176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.405 ' H ' ' C ' ' A' ' 28' ' ' ALA . 95.5 t 70.93 -55.4 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 123.751 0.82 . . . . 0.0 111.019 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.651 ' O ' HG12 ' A' ' 35' ' ' ILE . 12.4 m-20 -54.03 -64.49 0.81 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.165 -177.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.589 HD22 ' HB2' ' B' ' 12' ' ' LEU . 85.0 mt -60.43 -28.16 68.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.584 -175.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -67.94 -36.13 79.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.112 0.482 . . . . 0.0 109.851 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -79.06 -32.1 44.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.953 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.651 HG12 ' O ' ' A' ' 31' ' ' ASP . 8.1 mm -69.77 -47.56 69.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -53.49 17.46 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.952 171.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.27 -43.2 99.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.445 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.69 -50.23 69.38 Favored Glycine 0 C--O 1.236 0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.569 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.07 -40.42 90.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.94 0.4 . . . . 0.0 110.209 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 41.7 ttm -60.09 -48.69 80.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.748 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.25 -55.66 22.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.5 m -59.32 -48.79 80.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.123 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -63.01 -45.44 92.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.137 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.5 mt -70.93 -37.42 72.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.565 0.222 . . . . 0.0 111.523 -178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' HA ' HG22 ' A' ' 49' ' ' VAL . 80.9 mt -69.18 -21.25 63.99 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.972 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.444 HG22 ' HG3' ' B' ' 72' ' ' ARG . 23.4 p -100.52 7.11 44.31 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.409 -0.516 . . . . 0.0 112.244 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.2 p -137.06 -45.87 0.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.4 m -94.89 -43.2 8.3 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -167.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 45' ' ' LEU . 13.3 m -84.87 157.07 60.76 Favored Pre-proline 0 C--N 1.323 -0.558 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.069 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.41 114.77 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.654 2.236 . . . . 0.0 111.876 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.421 ' HA ' ' HB2' ' A' ' 54' ' ' CYS . 3.1 pt20 -66.74 -20.37 65.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.231 -176.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.473 HG22 ' HG3' ' A' ' 53' ' ' GLN . 12.9 t -77.78 -5.17 49.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.163 0.506 . . . . 0.0 110.461 176.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.485 ' HB3' HD11 ' A' ' 57' ' ' LEU . 24.1 mt-30 -131.15 15.82 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.972 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.421 ' HB2' ' HA ' ' A' ' 51' ' ' GLN . 48.7 t -63.17 -48.98 76.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.696 -174.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -35.81 69.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.838 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.03 -53.33 58.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.992 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.485 HD11 ' HB3' ' A' ' 53' ' ' GLN . 10.1 mp -67.33 -37.43 83.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.56 -51.4 69.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.898 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -66.71 -41.62 87.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.35 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.18 -48.09 82.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.372 . . . . 0.0 110.597 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.25 -44.83 94.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.368 177.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.631 ' O ' HG12 ' A' ' 66' ' ' ILE . 49.3 m -59.51 -58.14 9.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.389 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -59.63 -30.46 68.72 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.985 -175.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.6 m -65.91 -41.7 91.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.793 0.33 . . . . 0.0 110.265 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.68 -43.55 79.89 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.272 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.631 HG12 ' O ' ' A' ' 62' ' ' SER . 28.9 mm -53.88 -47.03 64.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.87 177.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.94 -50.34 74.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.877 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.52 -47.6 83.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.756 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.4 t -67.4 -41.43 86.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.101 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -70.08 -35.7 74.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.693 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 60.9 m -75.18 -20.85 59.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.463 . . . . 0.0 110.565 176.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -71.88 -44.41 63.81 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.476 ' HG ' ' HD2' ' A' ' 75' ' ' HIS . 35.6 tp -63.39 -58.14 8.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.765 176.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 71' ' ' THR . 38.7 tt0 37.68 90.14 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 O-C-N 124.484 1.115 . . . . 0.0 113.701 170.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.476 ' HD2' ' HG ' ' A' ' 73' ' ' LEU . 33.7 m-70 -99.37 105.17 17.11 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.906 0.384 . . . . 0.0 110.942 178.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -133.96 84.42 2.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.608 0.718 . . . . 0.0 110.4 176.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -65.87 -37.94 87.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.172 -175.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -129.46 135.45 48.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -75.09 133.98 41.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.822 0.344 . . . . 0.0 110.813 -175.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.3 m80 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.528 -0.748 . . . . 0.0 109.95 175.222 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.577 0.227 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.28 135.11 39.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -108.86 76.76 1.03 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.863 0.363 . . . . 0.0 110.73 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 58.89 84.94 0.1 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.164 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -70.85 113.94 8.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.227 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -63.13 -40.92 99.0 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.226 0.536 . . . . 0.0 109.997 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.411 ' HB2' HD23 ' A' ' 32' ' ' LEU . 84.4 m-85 -127.27 -79.51 0.59 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.314 174.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.679 ' HB2' ' HB3' ' B' ' 11' ' ' GLN . 20.1 m -150.49 110.66 4.15 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 175.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -61.03 -24.36 66.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.146 0.498 . . . . 0.0 110.236 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.88 -39.0 44.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.033 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.679 ' HB3' ' HB2' ' B' ' 8' ' ' SER . 7.6 tt0 -71.14 -41.81 69.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.917 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.608 ' CD1' ' HB ' ' A' ' 35' ' ' ILE . 23.4 tp -54.01 -56.2 20.16 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.071 177.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' B' ' 17' ' ' ASN . 23.7 p -77.15 -14.7 59.75 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.97 -172.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.82 76.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.177 0.513 . . . . 0.0 109.63 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mt -67.68 -48.76 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.902 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.428 HG13 ' HA ' ' B' ' 13' ' ' SER . 9.8 p -72.49 -20.89 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.682 -178.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.503 ' HB2' ' O ' ' B' ' 13' ' ' SER . 46.4 t-20 -61.34 -53.38 57.43 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 173.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.563 ' O ' HG21 ' B' ' 22' ' ' VAL . 4.4 m-20 -55.77 -52.78 62.76 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.621 175.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.418 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 62.2 mtt -49.02 -55.62 11.46 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.877 -177.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 68.2 mt -67.05 -43.45 88.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.732 0.301 . . . . 0.0 111.226 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.16 -34.28 77.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.613 -177.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.563 HG21 ' O ' ' B' ' 18' ' ' ASP . 70.7 t -68.6 -42.04 83.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 19' ' ' MET . 96.5 mt -61.14 -40.21 92.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.089 0.471 . . . . 0.0 109.959 175.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.2 -52.6 63.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.64 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -60.38 -34.03 73.31 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 111.32 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -75.57 -17.38 60.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 60.77 37.24 18.94 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.759 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.95 127.5 83.66 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.635 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.95 162.54 25.38 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.78 2.32 . . . . 0.0 112.024 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -60.23 -21.69 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.613 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.506 ' O ' HG13 ' B' ' 35' ' ' ILE . 11.4 m-20 -65.72 -67.03 0.47 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.22 0.533 . . . . 0.0 110.947 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 12' ' ' LEU . 87.3 mt -68.59 -30.92 69.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.947 -172.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.5 p -64.13 -45.53 88.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.679 0.276 . . . . 0.0 110.803 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.05 -36.26 82.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.166 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 31' ' ' ASP . 60.9 mt -65.27 -43.71 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.656 0.265 . . . . 0.0 110.424 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.32 -42.01 90.41 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.883 0.373 . . . . 0.0 110.681 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.49 -39.7 94.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.332 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.56 -38.75 96.89 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.178 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -45.98 90.12 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 20.9 mmt -62.49 -50.05 72.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.942 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.4 27.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.217 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.3 p -62.22 -44.29 96.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.373 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.71 -42.04 92.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.246 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -79.3 -37.71 37.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.912 0.387 . . . . 0.0 111.153 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -71.27 -14.21 62.15 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.399 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 10.9 p -97.13 -25.58 15.27 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.647 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.7 p -109.13 -36.83 5.95 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -172.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.7 m -89.06 -51.89 5.36 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -169.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.32 149.14 91.4 Favored Pre-proline 0 C--O 1.236 0.383 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.897 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.17 122.71 12.2 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.268 2.646 . . . . 0.0 112.646 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -62.37 -19.69 63.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.821 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' THR . . . . . 0.593 HG23 ' HG3' ' B' ' 53' ' ' GLN . 9.0 t -73.91 -15.15 61.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.687 0.279 . . . . 0.0 110.943 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.593 ' HG3' HG23 ' B' ' 52' ' ' THR . 28.6 mt-30 -133.14 22.79 4.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.34 -177.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 7.2 p -59.2 -49.44 77.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.906 -174.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -27.2 60.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.617 0.246 . . . . 0.0 111.619 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.86 -47.93 41.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.835 0.35 . . . . 0.0 110.778 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.86 -32.36 72.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.533 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.454 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -61.9 -42.31 98.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.094 0.473 . . . . 0.0 110.419 175.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -68.9 -38.57 79.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.804 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.32 95.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.784 0.326 . . . . 0.0 110.697 177.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.515 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 51.9 t80 -59.13 -44.31 92.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.109 175.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.696 ' O ' HG12 ' B' ' 66' ' ' ILE . 34.0 t -62.63 -59.98 4.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.838 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -54.51 -41.23 69.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.218 -173.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 61.7 p -67.48 -39.04 85.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 74.5 mt -65.79 -45.62 81.76 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.751 0.31 . . . . 0.0 110.786 177.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.696 HG12 ' O ' ' B' ' 62' ' ' SER . 5.7 mm -62.49 -40.34 87.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -69.8 -34.66 74.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.635 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.9 -46.17 91.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.271 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.0 -40.95 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.258 175.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' B' ' 74' ' ' GLU . 64.5 mttm -64.54 -31.4 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.136 177.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 11.5 m -84.9 -7.88 58.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.622 0.725 . . . . 0.0 110.438 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.614 ' NE ' ' HA ' ' B' ' 72' ' ' ARG . 4.6 mmp_? -93.59 -49.34 5.93 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.423 0.63 . . . . 0.0 110.24 173.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.62 -39.27 83.71 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.492 176.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' B' ' 70' ' ' LYS . 3.5 mm-40 -96.62 108.27 20.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.284 0.564 . . . . 0.0 110.587 176.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -138.25 106.63 5.81 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.926 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.545 ' HB2' ' HA ' ' B' ' 80' ' ' HIS . 24.2 m170 -118.91 147.2 44.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.122 -177.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -91.89 -47.58 7.24 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -92.44 108.2 19.79 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 61.92 100.66 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 O-C-N 124.019 0.824 . . . . 0.0 110.933 -176.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.545 ' HA ' ' HB2' ' B' ' 76' ' ' HIS . 14.6 p80 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.606 177.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.71 109.97 5.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.412 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.408 ' HB3' ' H ' ' A' ' 4' ' ' HIS . 1.7 mp0 58.74 -152.75 0.4 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.017 175.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.408 ' H ' ' HB3' ' A' ' 3' ' ' GLN . 86.1 m-70 -92.24 24.96 3.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.174 0.512 . . . . 0.0 110.482 176.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 t -87.46 39.33 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.509 0.671 . . . . 0.0 109.344 177.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -85.62 26.66 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.325 -173.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 63.83 84.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.386 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -84.06 105.79 15.2 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -62.37 -14.9 44.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.429 0.633 . . . . 0.0 109.369 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.02 -41.61 35.18 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.112 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.485 ' O ' HG13 ' A' ' 15' ' ' ILE . 4.4 tt0 -71.2 -38.94 72.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.799 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 16' ' ' VAL . 55.4 tp -53.79 -61.73 2.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 177.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 p -56.77 -36.83 70.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.32 -177.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.49 92.95 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.819 0.342 . . . . 0.0 110.648 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 11' ' ' GLN . 84.7 mt -67.71 -49.47 69.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.79 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.6 t -63.97 -41.34 92.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.603 -175.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -62.35 -41.55 98.69 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.206 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.732 ' O ' HG23 ' A' ' 22' ' ' VAL . 36.1 t70 -66.3 -51.12 60.54 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.41 ' O ' HD21 ' A' ' 23' ' ' LEU . 40.5 ttp -51.47 -45.28 62.69 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.271 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 16' ' ' VAL . 78.8 mt -60.69 -51.02 77.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.626 0.25 . . . . 0.0 110.704 177.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.84 96.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.283 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 18' ' ' ASP . 62.8 t -59.35 -46.1 92.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.702 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.41 HD21 ' O ' ' A' ' 19' ' ' MET . 4.1 mm? -64.8 -36.51 84.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.248 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 20' ' ' ILE . 19.0 mm-40 -64.71 -41.61 95.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.013 0.435 . . . . 0.0 110.371 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 9.5 mtpm? -69.05 -33.61 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.823 178.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -77.39 -27.75 52.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.049 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt 56.18 76.7 0.28 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.499 0.666 . . . . 0.0 110.505 -177.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.09 134.05 21.15 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.611 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -69.23 152.76 72.06 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.418 2.079 . . . . 0.0 111.707 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.15 -18.06 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.887 -176.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.478 ' O ' HG13 ' A' ' 35' ' ' ILE . 12.2 m-20 -63.66 -66.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.9 -36.81 83.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.004 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 t -58.44 -52.62 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.052 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 34' ' ' LEU . 4.3 mm? -73.35 -27.67 61.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.466 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 31' ' ' ASP . 79.1 mt -72.08 -39.45 65.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.399 176.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.36 -45.92 91.78 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.8 -36.39 82.27 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.807 176.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.39 -53.4 36.13 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.228 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.16 -39.63 87.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.803 0.335 . . . . 0.0 110.667 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.857 ' HA ' ' HE3' ' A' ' 40' ' ' MET . 2.0 tpt -65.48 -49.89 67.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.463 178.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.3 -46.2 86.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.882 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -59.86 -48.24 82.49 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.162 0.506 . . . . 0.0 110.824 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -63.68 -38.59 91.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.669 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 40' ' ' MET . 76.0 mt -69.58 -39.16 77.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.031 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 84.7 mt -68.29 -17.3 64.24 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.226 -0.296 . . . . 0.0 111.205 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 p -105.55 9.83 33.29 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 175.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.8 m -138.16 -44.32 0.51 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.538 ' HB3' ' HB ' ' B' ' 30' ' ' VAL . 49.1 m -83.31 -13.5 54.98 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -173.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.507 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 19.6 m -89.65 162.86 35.02 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.507 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 10.1 Cg_endo -54.57 -74.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.798 2.332 . . . . 0.0 111.584 173.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -179.98 -80.55 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.666 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.4 m -69.42 -35.76 76.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.524 -173.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -69.96 -6.61 34.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.601 -175.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.488 ' SG ' HG11 ' B' ' 69' ' ' VAL . 48.9 t -56.33 -38.73 71.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.409 -178.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.98 -42.91 95.21 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.076 0.465 . . . . 0.0 110.512 -177.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.98 -45.23 64.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.046 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.87 -41.84 91.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.634 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.19 95.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.769 0.319 . . . . 0.0 110.642 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -70.11 -30.22 67.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.063 0.459 . . . . 0.0 110.369 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.56 76.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.099 174.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.07 -39.69 95.46 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.009 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.611 ' O ' HG12 ' A' ' 66' ' ' ILE . 29.2 t -54.22 -61.87 2.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.561 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -62.13 -27.07 68.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.037 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.1 t -63.0 -44.69 95.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.13 -39.23 86.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.24 176.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 62' ' ' SER . 34.1 mm -58.03 -51.18 73.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.848 177.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -63.61 -36.38 83.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.723 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.65 83.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.833 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.9 t -63.99 -43.02 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.549 ' HD3' ' O ' ' A' ' 66' ' ' ILE . 5.7 mptp? -62.03 -39.88 93.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.945 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.8 m -75.56 -19.89 58.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.178 0.513 . . . . 0.0 110.822 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.491 ' HG3' ' HB ' ' B' ' 46' ' ' THR . 1.4 tmt_? -73.64 -37.38 65.36 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.9 mt -81.99 -39.3 23.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.684 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 68.17 131.61 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.717 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -75.39 -20.6 58.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.416 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -110.11 102.35 11.06 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 175.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -106.86 -25.06 11.84 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.606 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.8 t60 60.94 -86.37 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.84 -177.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 170.61 -17.77 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.429 -177.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 117.924 -1.036 . . . . 0.0 109.999 -175.882 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.937 0.398 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.71 -30.47 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.272 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -99.08 110.12 22.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.805 0.336 . . . . 0.0 110.257 -178.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -94.98 -41.23 9.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.134 0.492 . . . . 0.0 109.883 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -149.38 109.22 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.348 175.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -68.89 -26.93 65.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.222 0.535 . . . . 0.0 110.428 -178.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -74.65 -69.78 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.11 177.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.471 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 48.2 t 175.23 118.93 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.983 -177.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.07 -23.9 67.31 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 173.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.7 -38.55 64.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.242 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.839 ' HA ' HE21 ' B' ' 11' ' ' GLN . 0.0 OUTLIER -70.73 -40.0 73.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 177.072 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.58 -56.77 17.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.437 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' SER . . . . . 0.407 ' HA ' HG21 ' B' ' 16' ' ' VAL . 11.8 p -59.18 -37.58 77.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.381 -177.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -36.81 79.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 111.313 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 63.1 mt -69.65 -43.0 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.623 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.407 HG21 ' HA ' ' B' ' 13' ' ' SER . 0.0 OUTLIER -70.53 -27.87 32.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.195 179.41 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -67.7 -32.54 73.25 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.828 175.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.733 ' O ' HG21 ' B' ' 22' ' ' VAL . 34.4 t70 -68.48 -42.39 78.74 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.442 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 26.3 mmt -52.57 -45.28 66.38 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.554 0.533 . . . . 0.0 110.791 176.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 71.8 mt -58.69 -42.57 85.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.296 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.619 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -66.47 -37.94 86.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.868 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.733 HG21 ' O ' ' B' ' 18' ' ' ASP . 44.8 t -58.56 -45.45 90.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.264 177.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 19' ' ' MET . 65.3 mt -64.66 -44.36 90.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.984 176.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -59.88 -27.62 66.85 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.361 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 92.0 mttt -58.06 -50.0 74.94 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.075 0.464 . . . . 0.0 110.811 178.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -97.81 -18.45 18.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.544 -175.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 tttm 57.02 58.86 3.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.76 0.791 . . . . 0.0 109.266 -177.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.42 157.12 36.76 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.115 -173.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.49 ' HD2' HD11 ' B' ' 32' ' ' LEU . 57.9 Cg_endo -71.92 172.12 15.24 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.638 2.225 . . . . 0.0 112.194 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.538 ' HB ' ' HB3' ' A' ' 48' ' ' SER . 29.7 m -60.26 -32.53 50.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -176.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.568 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.2 m-20 -63.52 -55.64 22.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.645 0.26 . . . . 0.0 110.852 -177.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.49 HD11 ' HD2' ' B' ' 29' ' ' PRO . 84.2 mt -61.33 -39.44 90.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.78 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 40.8 t -61.73 -38.9 89.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.536 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -73.73 -39.88 63.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.947 -176.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 31' ' ' ASP . 48.2 mt -70.12 -36.23 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.884 -178.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.55 -45.17 94.88 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 174.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.56 -39.86 95.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.538 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.88 -51.76 57.0 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.675 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -62.1 -40.01 94.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.735 0.302 . . . . 0.0 110.406 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.627 ' HE2' HD12 ' B' ' 44' ' ' LEU . 14.1 tpt -64.39 -47.24 79.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.839 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.81 75.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.621 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.8 m -58.19 -49.31 77.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.364 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -54.32 -50.18 67.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.135 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.627 HD12 ' HE2' ' B' ' 40' ' ' MET . 58.9 mt -67.58 -40.97 84.84 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -177.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.5 mt -74.67 -10.57 59.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.491 ' HB ' ' HG3' ' A' ' 72' ' ' ARG . 25.5 p -105.78 -2.83 22.72 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.509 -0.476 . . . . 0.0 112.175 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.6 p -131.54 -41.81 1.06 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -175.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -112.39 28.67 8.57 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -167.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.45 153.89 50.36 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.549 ' HD2' HD21 ' B' ' 57' ' ' LEU . 67.1 Cg_exo -52.22 112.04 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.54 2.16 . . . . 0.0 111.277 175.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -28.46 67.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -172.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 33.5 p -83.45 -33.57 25.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.223 0.535 . . . . 0.0 111.724 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -103.93 16.27 26.71 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.352 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 17.3 p -56.59 -44.52 81.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.468 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.426 ' CD ' ' HZ1' ' A' ' 70' ' ' LYS . 6.7 tp10 -54.49 -46.68 73.47 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.353 0.597 . . . . 0.0 110.738 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.7 -43.99 78.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.459 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.549 HD21 ' HD2' ' B' ' 50' ' ' PRO . 9.8 mp -70.8 -37.54 73.29 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.37 -49.29 78.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 0.0 110.455 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -71.29 -31.52 67.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.007 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.52 -49.83 69.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.063 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.427 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 38.1 t80 -63.01 -46.44 87.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.823 0.344 . . . . 0.0 110.573 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.561 ' HB2' ' OG ' ' A' ' 62' ' ' SER . 8.5 p -64.9 -52.65 55.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.366 -176.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -66.15 -26.17 67.31 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.616 0.246 . . . . 0.0 111.165 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 27.1 t -64.65 -40.21 95.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 91.8 mt -63.32 -42.6 99.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.291 178.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 62' ' ' SER . 13.5 mm -57.38 -48.43 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.413 0.625 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -68.6 -40.32 80.51 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.151 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.77 80.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.488 HG11 ' SG ' ' A' ' 54' ' ' CYS . 97.1 t -61.05 -48.83 87.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.414 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -55.64 -53.18 59.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.4 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 26.1 m -70.64 -26.26 63.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.681 -174.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -52.38 12.84 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 176.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.68 -28.46 69.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.904 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -55.62 120.51 7.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.788 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -87.03 63.36 7.88 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 177.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -62.91 133.11 54.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.459 -173.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -82.83 171.74 13.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.824 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . 0.485 ' O ' ' HB2' ' B' ' 79' ' ' HIS . 28.5 m80 -126.5 32.51 5.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.14 -174.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' B' ' 78' ' ' HIS . 34.1 m80 71.98 148.55 0.09 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.239 -171.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.961 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.6 m . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 120.403 0.145 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.13 -29.63 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 173.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.41 -38.97 74.7 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.043 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -72.01 -43.36 65.15 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' ' 16' ' ' VAL . 54.3 tp -59.05 -54.75 43.5 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.94 178.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.7 p -56.35 -37.52 70.13 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.405 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.72 94.21 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.829 0.347 . . . . 0.0 110.809 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.22 -50.31 69.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.7 t -65.93 -38.07 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.454 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -55.87 -47.64 76.97 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.821 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 22' ' ' VAL . 38.5 t70 -66.16 -48.22 71.48 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.583 ' SD ' ' HG3' ' B' ' 19' ' ' MET . 52.1 tpp -51.49 -46.65 63.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.079 0.466 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.8 mt -70.16 -44.1 78.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.564 ' O ' ' HG2' ' A' ' 25' ' ' LYS . . . -65.37 -35.0 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 0.0 111.433 -177.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.662 HG11 HG11 ' B' ' 22' ' ' VAL . 92.2 t -70.01 -45.3 76.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.221 177.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 33' ' ' SER . 48.8 tp -61.78 -34.61 76.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.013 176.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.51 -33.26 75.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.271 177.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 42.1 mmtm -66.54 -44.27 82.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.786 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -75.04 -30.68 61.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 tptm 60.76 75.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.929 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.26 139.9 48.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.498 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -78.5 41.05 0.98 Allowed 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.184 2.589 . . . . 0.0 113.026 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 66.7 t 72.54 -53.54 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 123.223 0.609 . . . . 0.0 111.798 178.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.519 ' O ' HG13 ' A' ' 35' ' ' ILE . 25.6 t70 -56.93 -55.76 30.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.033 -177.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.2 mt -58.96 -41.6 87.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.022 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.449 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.5 p -66.93 -29.86 69.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.613 0.244 . . . . 0.0 111.501 -177.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 83.7 mt -74.89 -29.25 60.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.751 0.31 . . . . 0.0 110.335 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 31' ' ' ASP . 38.5 mt -72.88 -41.56 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.138 177.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.443 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.41 -42.04 95.16 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.132 0.491 . . . . 0.0 109.918 174.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.551 ' HG ' HD11 ' B' ' 37' ' ' LEU . 7.6 tt -61.36 -45.89 92.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.501 175.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.25 -48.4 86.14 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.392 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -54.84 -49.17 71.74 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 110.517 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.6 tpt -69.08 -41.12 77.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.282 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.83 -46.64 87.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.614 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.9 m -59.7 -46.97 87.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.146 0.498 . . . . 0.0 110.172 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -56.39 -47.65 78.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.885 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.74 -44.56 70.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.459 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.37 -10.13 58.17 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.6 p -109.37 5.87 23.87 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.456 -0.497 . . . . 0.0 111.518 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.9 m -133.43 -45.28 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -175.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -113.18 28.1 9.06 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -168.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.0 m -123.32 150.89 61.55 Favored Pre-proline 0 C--N 1.324 -0.509 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.46 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.69 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . 32.3 Cg_exo -58.73 128.96 30.03 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.515 2.144 . . . . 0.0 111.131 174.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -60.98 -43.52 98.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.007 0.432 . . . . 0.0 111.409 -171.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.441 HG23 ' HG3' ' A' ' 53' ' ' GLN . 14.7 t -90.94 -9.48 45.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.461 -174.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.69 ' HB2' ' HB2' ' A' ' 50' ' ' PRO . 50.0 mt-30 -117.96 19.34 13.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.072 0.463 . . . . 0.0 110.47 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 p -61.18 -45.99 92.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.318 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -64.61 -42.81 95.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.59 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.67 -55.51 29.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.618 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.59 -34.62 78.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.31 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.2 89.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.76 0.314 . . . . 0.0 110.714 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -39.74 80.79 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.154 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.04 91.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.57 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 21.4 t80 -58.59 -50.91 72.09 Favored 'General case' 0 N--CA 1.461 0.097 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.65 ' O ' HG12 ' A' ' 66' ' ' ILE . 23.8 t -59.82 -54.79 42.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.395 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -52.06 -44.67 64.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.369 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.2 t -63.22 -35.17 79.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.692 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 57.4 mt -75.23 -38.08 60.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.507 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.65 HG12 ' O ' ' A' ' 62' ' ' SER . 21.0 mm -61.02 -43.73 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -61.56 -40.44 94.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.414 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.99 98.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.65 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 65' ' ' LEU . 92.5 t -63.06 -42.28 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.656 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -57.84 -53.92 52.71 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.9 m -73.29 -17.41 61.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.179 0.514 . . . . 0.0 111.25 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.702 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -72.44 -56.18 5.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.116 0.484 . . . . 0.0 109.77 174.33 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.78 -49.78 69.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.491 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.434 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 47.9 t . . . . . 0 N--CA 1.442 -0.84 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -22.97 66.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.162 177.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.94 -50.0 22.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.181 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.459 ' O ' HG13 ' B' ' 15' ' ' ILE . 19.3 mt-30 -60.98 -40.28 92.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.83 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.653 ' O ' HG23 ' B' ' 16' ' ' VAL . 65.1 tp -58.63 -54.46 46.79 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.962 177.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 31.0 m -55.63 -39.87 71.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.024 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.71 95.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.944 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 11' ' ' GLN . 83.5 mt -62.76 -50.29 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.7 t -63.92 -38.19 81.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.15 0.5 . . . . 0.0 110.119 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.17 -49.79 72.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.053 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.429 ' O ' HG13 ' B' ' 22' ' ' VAL . 28.0 t70 -71.6 -27.97 63.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.374 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.583 ' HG3' ' SD ' ' A' ' 19' ' ' MET . 53.4 ttp -60.05 -41.73 92.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.244 0.545 . . . . 0.0 110.197 175.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 73.7 mt -67.33 -41.4 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.851 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.86 -48.36 82.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.701 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.662 HG11 HG11 ' A' ' 22' ' ' VAL . 23.4 m -66.81 -27.89 41.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 120.679 0.275 . . . . 0.0 110.989 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 57.4 tp -65.42 -51.65 58.79 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.791 173.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.02 -28.67 70.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.821 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' B' ' 22' ' ' VAL . 36.5 ttpt -63.3 -28.92 70.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.888 176.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -101.59 -19.53 15.43 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 64.03 81.39 0.21 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.68 0.613 . . . . 0.0 111.141 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.09 135.78 26.26 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.717 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.452 ' HD2' HD12 ' B' ' 32' ' ' LEU . 42.8 Cg_endo -69.14 166.05 28.15 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.183 1.922 . . . . 0.0 111.117 174.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.63 -33.74 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.508 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.668 ' O ' HG12 ' B' ' 35' ' ' ILE . 5.8 m-20 -59.61 -67.39 0.38 Allowed 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.933 0.397 . . . . 0.0 110.61 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.452 HD12 ' HD2' ' B' ' 29' ' ' PRO . 95.5 mt -58.15 -34.68 70.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.581 -177.034 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.4 t -62.8 -37.58 87.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.398 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.2 mt -77.27 -34.03 55.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.692 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.668 HG12 ' O ' ' B' ' 31' ' ' ASP . 25.8 mm -64.11 -45.81 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.094 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -61.66 -42.94 99.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.542 176.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.551 HD11 ' HG ' ' A' ' 37' ' ' LEU . 42.8 tp -65.37 -39.29 92.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.548 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.31 -47.34 90.35 Favored Glycine 0 C--O 1.236 0.231 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.285 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -61.92 -42.93 99.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.961 0.41 . . . . 0.0 110.194 176.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.452 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 27.4 ttt -62.08 -51.91 66.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.143 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.73 -51.47 65.52 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.467 ' OG ' HD22 ' A' ' 65' ' ' LEU . 17.1 m -63.84 -45.55 89.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.244 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -62.57 -39.56 94.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.453 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 40' ' ' MET . 56.3 mt -67.44 -47.07 71.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.835 0.35 . . . . 0.0 111.117 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.03 -25.58 68.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.305 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 17.0 p -97.07 12.97 30.73 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.581 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 23.7 m -133.68 -50.72 0.85 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.837 0.351 . . . . 0.0 111.842 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.5 m -80.62 -35.42 34.06 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -171.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.541 HG23 ' HB3' ' B' ' 54' ' ' CYS . 4.8 m -117.63 162.12 30.38 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -174.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 10.6 Cg_endo -53.9 127.18 24.54 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 123.552 2.835 . . . . 0.0 113.194 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -54.78 -54.5 41.3 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.568 -174.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 12.7 t -69.84 -10.74 59.56 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -108.72 -35.65 6.36 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.395 -175.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' CYS . . . . . 0.541 ' HB3' HG23 ' B' ' 49' ' ' VAL . 27.2 p -63.05 -31.28 72.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.702 0.287 . . . . 0.0 110.727 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.46 -44.12 89.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.452 176.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.88 -43.73 74.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.567 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.42 -37.62 86.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.781 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.54 81.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.199 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -61.25 -48.68 80.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.072 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.64 75.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.697 0.284 . . . . 0.0 111.314 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -64.93 -41.21 95.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.457 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.617 ' O ' HG12 ' B' ' 66' ' ' ILE . 37.8 t -62.44 -49.2 76.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.293 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -61.43 -34.36 75.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.488 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 13.8 t -64.23 -40.25 95.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.057 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.78 -38.18 90.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.304 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.617 HG12 ' O ' ' B' ' 62' ' ' SER . 21.9 mm -61.5 -43.58 97.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.446 ' HA ' ' HE3' ' B' ' 70' ' ' LYS . 54.9 t30 -60.97 -38.93 87.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.436 178.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.27 -52.41 64.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.803 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.76 -46.47 96.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' B' ' 67' ' ' ASN . 25.5 ttpp -54.36 -54.01 46.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.115 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 5.4 m -81.41 -1.15 44.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.553 -174.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -80.03 -38.06 32.74 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 169.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 172.799 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.441 -0.881 0 CA-C-O 121.021 0.438 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -60.92 -18.93 59.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.587 172.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.45 -38.66 29.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.951 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.68 -45.47 68.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.939 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.683 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.2 tp -60.53 -56.51 20.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.758 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.3 m -55.58 -36.38 66.81 Favored 'General case' 0 C--N 1.332 -0.172 0 O-C-N 123.269 0.356 . . . . 0.0 111.276 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.51 98.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 110.78 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -73.33 -44.51 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.234 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.8 t -64.65 -42.74 95.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.986 0.422 . . . . 0.0 110.485 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -70.62 -27.74 64.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.628 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.665 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.3 t0 -66.36 -47.93 71.84 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 177.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.9 mmt -58.55 -33.39 69.85 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.3 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 16' ' ' VAL . 71.8 mt -61.21 -44.53 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.108 0.48 . . . . 0.0 109.844 175.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.89 -33.11 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.197 177.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 18' ' ' ASP . 68.7 t -61.84 -40.26 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.298 175.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.03 -41.23 91.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.256 175.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -73.3 -17.53 61.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.94 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -76.08 -13.95 60.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.358 0.599 . . . . 0.0 110.289 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -122.69 -30.32 3.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.927 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 61.98 75.0 0.42 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.987 -178.545 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.57 139.22 20.44 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.485 ' HG2' ' OD1' ' A' ' 31' ' ' ASP . 59.0 Cg_endo -74.29 39.2 0.52 Allowed 'Trans proline' 0 CA--C 1.535 0.575 0 C-N-CA 123.232 2.621 . . . . 0.0 114.405 -172.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.6 t 75.12 -52.76 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 123.467 0.707 . . . . 0.0 112.136 175.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.492 ' O ' HG13 ' A' ' 35' ' ' ILE . 19.5 p-10 -64.78 -50.6 66.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.758 0.314 . . . . 0.0 110.268 -177.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.0 tp -64.11 -31.79 73.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.488 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -64.44 -42.34 96.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.382 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.1 mt -72.75 -23.88 60.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.42 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 31' ' ' ASP . 71.1 mt -68.61 -45.33 81.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 0.0 110.354 175.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -59.39 -47.61 84.79 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.279 0.562 . . . . 0.0 110.544 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.78 -21.29 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.679 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.43 -47.56 34.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.209 -0.52 . . . . 0.0 112.08 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.55 -34.74 76.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.107 0.479 . . . . 0.0 110.063 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.3 ttt -69.46 -48.39 60.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.885 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.91 63.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.6 p -62.2 -40.86 97.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.088 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -58.04 -49.41 76.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.735 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.651 HD13 HG13 ' B' ' 30' ' ' VAL . 68.1 mt -69.02 -42.22 76.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.284 -177.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 86.0 mt -66.12 -21.09 66.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.526 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.5 p -100.53 -4.53 28.48 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.608 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -117.64 -41.67 2.92 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -176.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 m -89.34 -62.72 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.703 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 32.8 m -74.07 164.11 63.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 C-N-CA 121.305 -0.158 . . . . 0.0 111.012 -176.144 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.703 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 14.9 Cg_endo -57.57 115.61 2.63 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.675 2.25 . . . . 0.0 112.46 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.702 ' HB3' HD11 ' B' ' 73' ' ' LEU . 25.8 mp0 -58.14 -37.43 74.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.209 -178.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.582 HG23 ' HG2' ' A' ' 53' ' ' GLN . 11.3 t -73.28 -8.12 54.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.666 -177.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.582 ' HG2' HG23 ' A' ' 52' ' ' THR . 20.3 mm-40 -124.07 9.67 8.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.348 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.555 ' SG ' HG11 ' B' ' 69' ' ' VAL . 25.5 t -63.69 -54.93 27.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.361 -171.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.691 ' HB3' HG23 ' B' ' 66' ' ' ILE . 1.6 mp0 -62.79 -34.97 78.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.004 0.43 . . . . 0.0 110.478 -177.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.96 -51.07 61.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.568 HD13 ' HB3' ' A' ' 53' ' ' GLN . 10.8 mp -72.58 -38.45 67.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.464 -177.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.97 95.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.728 0.299 . . . . 0.0 110.403 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -62.73 -43.29 99.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.263 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.74 -48.72 80.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -65.83 -41.82 91.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.813 0.339 . . . . 0.0 110.232 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.596 ' O ' HG12 ' A' ' 66' ' ' ILE . 38.8 t -57.97 -53.26 60.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.392 178.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.456 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . 96.1 m-20 -63.44 -27.97 69.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.385 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 m -63.54 -37.42 87.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.127 0.489 . . . . 0.0 110.112 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 69' ' ' VAL . 85.8 mt -74.93 -34.24 62.07 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.207 175.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.596 HG12 ' O ' ' A' ' 62' ' ' SER . 42.8 mm -59.62 -41.8 86.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.19 0.519 . . . . 0.0 109.741 174.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -65.71 -32.32 73.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.531 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.78 -39.37 84.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.069 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 65' ' ' LEU . 98.0 t -60.1 -43.78 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.998 173.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.73 -32.63 70.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.32 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 26.3 m -68.45 -27.46 66.19 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.596 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -74.37 -25.59 59.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.023 0.439 . . . . 0.0 110.499 173.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mp -81.71 -12.58 58.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.946 173.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 171.839 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.481 ' HB2' ' CB ' ' B' ' 11' ' ' GLN . 18.3 m . . . . . 0 N--CA 1.443 -0.796 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -65.74 -16.92 64.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.332 0.587 . . . . 0.0 109.715 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.31 -35.74 23.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.793 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.481 ' CB ' ' HB2' ' B' ' 8' ' ' SER . 64.6 tt0 -72.79 -43.45 62.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.73 177.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.632 ' O ' HG23 ' B' ' 16' ' ' VAL . 64.9 tp -58.42 -54.37 47.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.512 178.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 21.8 p -55.6 -42.74 75.29 Favored 'General case' 0 C--N 1.333 -0.152 0 O-C-N 123.304 0.377 . . . . 0.0 111.005 -177.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.14 -41.18 78.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.951 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 11' ' ' GLN . 74.0 mt -68.43 -46.83 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.134 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.632 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.6 t -63.59 -42.82 97.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 121.131 0.491 . . . . 0.0 109.771 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -69.66 -19.55 63.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.417 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.801 ' O ' HG23 ' B' ' 22' ' ' VAL . 34.4 t70 -74.14 -48.5 28.97 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 26.0 mmt -56.9 -43.25 81.16 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.724 0.64 . . . . 0.0 110.476 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.57 -41.48 90.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.27 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.587 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -63.58 -40.79 97.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.428 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.801 HG23 ' O ' ' B' ' 18' ' ' ASP . 25.2 t -58.19 -42.11 82.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.495 177.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.98 -32.19 71.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.57 -23.29 53.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.704 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 71.7 mmtt -75.02 -52.06 12.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.429 . . . . 0.0 110.386 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -89.5 -22.19 22.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.815 -175.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm 65.49 90.14 0.09 Allowed 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.836 0.71 . . . . 0.0 110.819 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.87 124.24 18.58 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.039 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.39 162.41 42.46 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.372 2.048 . . . . 0.0 111.946 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.651 HG13 HD13 ' A' ' 44' ' ' LEU . 61.8 t -51.14 -34.13 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.392 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.37 -69.01 0.16 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.263 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.421 HD23 HD12 ' B' ' 35' ' ' ILE . 68.6 mt -64.22 -34.77 78.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.763 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 46.4 t -64.81 -34.42 78.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.606 0.241 . . . . 0.0 110.657 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 19.0 tp -69.93 -39.32 76.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.087 0.47 . . . . 0.0 109.913 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.421 HD12 HD23 ' B' ' 32' ' ' LEU . 57.4 mt -62.54 -40.84 89.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.418 176.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.492 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -62.57 -41.78 99.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.714 176.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 51.6 tp -63.12 -40.09 96.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.42 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.71 98.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.321 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -62.23 -44.41 96.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.474 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 49.4 ttm -61.04 -48.3 82.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.777 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.53 -43.82 72.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.711 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 16.8 m -60.78 -49.31 77.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.461 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.29 -43.03 92.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.978 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 40' ' ' MET . 61.0 mt -69.33 -40.3 77.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.303 -177.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.492 ' HA ' HG22 ' B' ' 49' ' ' VAL . 96.4 mt -76.19 -13.48 60.18 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.652 -177.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 22.3 p -105.44 -0.35 26.09 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.567 -0.453 . . . . 0.0 112.062 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 39.2 m -141.71 -37.52 0.41 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -174.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.7 m -92.83 -30.68 15.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.061 -0.399 . . . . 0.0 111.786 -169.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' B' ' 45' ' ' LEU . 35.4 m -106.28 154.65 39.6 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.748 -0.206 . . . . 0.0 110.544 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.619 ' HB2' ' HG2' ' B' ' 53' ' ' GLN . 31.4 Cg_exo -59.44 107.89 0.41 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.498 2.132 . . . . 0.0 111.476 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.555 ' HA ' ' HB2' ' B' ' 54' ' ' CYS . 21.1 pt20 -60.0 -33.47 72.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -172.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -60.4 -30.01 69.33 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.94 0.4 . . . . 0.0 111.413 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.619 ' HG2' ' HB2' ' B' ' 50' ' ' PRO . 19.8 pt20 -122.36 18.92 10.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.057 0.456 . . . . 0.0 110.137 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' CYS . . . . . 0.555 ' HB2' ' HA ' ' B' ' 51' ' ' GLN . 49.4 t -59.69 -39.45 84.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.872 -177.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.03 -39.94 79.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.783 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.07 92.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 57' ' ' LEU . 4.2 mm? -69.17 -44.94 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.723 178.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.83 -46.0 83.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.555 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.555 ' NE2' HG13 ' A' ' 66' ' ' ILE . 73.1 mm-40 -64.12 -34.94 79.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.449 0.166 . . . . 0.0 110.856 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.57 -49.45 76.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.927 0.394 . . . . 0.0 110.496 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.407 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 30.2 t80 -64.16 -40.8 96.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.989 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.61 ' O ' HG12 ' B' ' 66' ' ' ILE . 23.0 t -59.47 -58.92 6.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.731 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -58.97 -34.66 72.06 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.874 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -67.02 -32.4 73.59 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.646 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 87.4 mt -75.54 -39.23 58.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.144 177.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.691 HG23 ' HB3' ' A' ' 55' ' ' GLU . 39.2 mm -55.99 -48.48 78.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 121.01 0.434 . . . . 0.0 110.597 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -65.12 -44.11 89.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.871 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.35 -48.69 80.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.809 0.337 . . . . 0.0 111.267 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.555 HG11 ' SG ' ' A' ' 54' ' ' CYS . 68.9 t -63.24 -46.18 96.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' B' ' 70' ' ' LYS . 23.5 ttmm -61.74 -34.55 76.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.771 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 56.4 m -71.13 -27.74 63.79 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.929 0.395 . . . . 0.0 110.88 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -75.04 -36.05 61.87 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.682 0.277 . . . . 0.0 110.395 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 51' ' ' GLN . 4.3 mm? . . . . . 0 C--O 1.233 0.228 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 172.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.559 ' HB2' ' HG2' ' A' ' 11' ' ' GLN . 15.8 m . . . . . 0 N--CA 1.444 -0.732 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -61.46 -25.01 66.96 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 175.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.35 -37.7 60.52 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.55 177.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.559 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 15.7 mm100 -67.12 -42.11 85.06 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.554 176.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 16' ' ' VAL . 43.7 tp -57.57 -53.93 52.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.345 176.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -51.03 -47.57 61.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.48 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.61 87.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.321 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.492 ' O ' ' HG2' ' A' ' 19' ' ' MET . 73.8 mt -67.99 -45.37 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.799 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.0 t -65.92 -38.65 82.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.9 0.381 . . . . 0.0 110.018 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.26 -39.21 92.15 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.538 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.735 ' O ' HG23 ' A' ' 22' ' ' VAL . 30.9 t70 -62.81 -50.15 72.12 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 14.4 mmt -51.75 -46.01 63.91 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.432 0.458 . . . . 0.0 111.118 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 16' ' ' VAL . 76.9 mt -62.35 -44.6 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.42 -40.53 85.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.085 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 18' ' ' ASP . 59.2 t -58.13 -48.39 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.174 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.0 tp -64.39 -44.15 92.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.488 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.67 -50.95 66.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.071 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -82.56 -8.46 59.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.985 -171.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -93.0 -28.9 16.12 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 tttm 54.73 85.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.406 -1.27 . . . . 0.0 111.881 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.47 130.27 22.96 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.411 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.52 160.52 42.6 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.221 1.947 . . . . 0.0 111.223 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 52.1 t -51.4 -30.63 10.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 123.683 0.614 . . . . 0.0 111.826 -175.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.493 ' O ' HG13 ' A' ' 35' ' ' ILE . 20.2 m-20 -68.54 -55.56 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.248 0.546 . . . . 0.0 110.375 -178.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.01 -32.06 68.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.461 -173.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.405 ' O ' HD23 ' A' ' 37' ' ' LEU . 25.4 p -63.93 -41.57 97.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 110.305 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 88.8 mt -66.42 -39.17 88.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.872 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 31' ' ' ASP . 44.1 mt -70.35 -39.05 76.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.803 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.469 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -61.1 -49.73 76.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.768 0.318 . . . . 0.0 110.309 176.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 33' ' ' SER . 4.1 mm? -59.26 -42.57 91.5 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.27 175.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.94 -55.45 27.87 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.834 -0.621 . . . . 0.0 113.049 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -61.57 -42.34 98.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.844 0.355 . . . . 0.0 110.765 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.6 tpt -66.26 -44.65 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.439 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.46 86.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.607 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.7 m -60.17 -47.98 83.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.956 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -58.08 -42.86 86.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.809 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.2 mt -65.23 -50.04 67.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.89 -22.15 65.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.853 0.358 . . . . 0.0 111.256 -177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 p -101.2 13.79 34.0 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.78 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.4 m -136.55 -50.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.8 p -94.98 -39.64 10.08 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -167.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.6 m -80.6 152.35 72.51 Favored Pre-proline 0 C--N 1.325 -0.497 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.15 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.495 ' HG2' ' HB2' ' A' ' 53' ' ' GLN . 6.3 Cg_endo -48.77 127.79 17.33 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.416 2.744 . . . . 0.0 111.79 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -64.58 -30.71 71.74 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -172.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.5 m -75.63 -20.23 58.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.375 0.607 . . . . 0.0 110.523 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.499 ' HB3' HD13 ' A' ' 57' ' ' LEU . 59.0 mm-40 -112.26 13.32 20.41 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -176.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 44.0 t -55.2 -53.68 52.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.62 -173.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -82.3 -27.16 32.48 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.573 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.19 -46.96 86.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.378 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' A' ' 53' ' ' GLN . 10.2 mp -73.75 -29.54 62.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.654 177.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.64 75.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.01 0.434 . . . . 0.0 110.457 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.73 -30.62 68.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 178.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.72 73.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.503 176.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.4 ' O ' HD23 ' A' ' 65' ' ' LEU . 92.2 t80 -59.73 -40.96 89.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.084 0.469 . . . . 0.0 110.146 176.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.613 ' O ' HG12 ' A' ' 66' ' ' ILE . 49.4 m -59.67 -60.44 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.27 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -64.46 -35.19 80.13 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.5 p -66.62 -36.49 82.72 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.646 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 61' ' ' PHE . 3.6 mm? -68.54 -37.49 80.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.717 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.613 HG12 ' O ' ' A' ' 62' ' ' SER . 16.0 mm -58.98 -46.77 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -61.94 -45.43 93.7 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.879 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.91 79.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.328 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.9 t -63.82 -43.13 97.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.975 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.36 -36.67 84.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.069 0.461 . . . . 0.0 110.96 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.3 m -70.32 -32.36 70.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.971 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HD2' HG21 ' B' ' 46' ' ' THR . 89.9 mtt180 -80.54 -23.62 39.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.97 0.414 . . . . 0.0 110.604 178.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.7 tp -69.89 -40.57 75.58 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 172.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.092 175.016 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.438 -1.074 0 CA-C-O 120.915 0.388 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.25 -19.95 56.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.545 176.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.46 -30.53 33.38 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.67 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -80.39 -29.8 37.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.41 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.7 ' O ' HG23 ' B' ' 16' ' ' VAL . 42.5 tp -63.79 -55.55 22.23 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 174.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 3.0 p -55.66 -38.4 69.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.352 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.69 -30.03 69.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.601 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.62 HG22 ' O ' ' B' ' 12' ' ' LEU . 6.5 tp -82.72 -34.0 11.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.542 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.7 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.4 t -74.65 -40.47 47.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -68.22 -25.8 65.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.208 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.732 ' O ' HG23 ' B' ' 22' ' ' VAL . 9.5 t70 -64.72 -52.27 58.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 174.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 65.5 mtt -56.37 -41.22 75.83 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.269 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 16' ' ' VAL . 73.3 mt -56.92 -47.59 82.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.129 0.49 . . . . 0.0 110.157 176.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -67.35 -36.92 82.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.764 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 18' ' ' ASP . 42.0 t -60.13 -42.51 90.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.204 0.526 . . . . 0.0 110.177 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.16 -46.36 89.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.632 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -65.01 -26.78 68.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.24 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 64.7 mttp -73.91 -14.69 61.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.959 0.409 . . . . 0.0 110.819 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -106.95 -30.5 8.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.408 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 15.7 ttpp 57.5 37.67 27.79 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 110.217 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.462 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -73.28 143.67 83.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.814 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 11.4 Cg_exo -68.89 154.33 71.15 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.599 2.199 . . . . 0.0 110.86 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.6 p -61.99 -29.0 45.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.683 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.605 ' O ' HG13 ' B' ' 35' ' ' ILE . 17.4 m-20 -60.4 -63.45 1.29 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.314 0.578 . . . . 0.0 109.735 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 19.3 tp -63.81 -36.42 83.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.673 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.0 t -59.37 -48.94 79.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.013 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 58.6 mt -71.11 -18.54 62.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.58 -177.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.605 HG13 ' O ' ' B' ' 31' ' ' ASP . 62.7 mt -75.69 -45.78 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.434 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -62.17 -52.92 61.87 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.619 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.85 -27.48 67.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.785 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.88 -48.39 61.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.012 176.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -64.46 -33.14 75.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.749 0.309 . . . . 0.0 110.861 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -71.69 -46.48 58.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.44 -52.3 65.16 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.2 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.2 p -61.73 -45.12 95.32 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.69 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -53.76 -54.28 40.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.764 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.72 -40.63 97.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.556 -177.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.416 ' HB3' ' SG ' ' B' ' 54' ' ' CYS . 88.4 mt -69.61 -16.65 63.43 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.714 -177.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.475 HG21 ' HD2' ' A' ' 72' ' ' ARG . 6.9 p -112.87 12.55 19.48 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.718 176.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 25.6 m -130.48 -43.72 1.13 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.392 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.5 m -86.07 -44.08 12.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.546 0.213 . . . . 0.0 111.39 -173.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.408 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 27.3 m -99.38 158.76 31.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.971 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 33.7 Cg_endo -64.69 119.1 6.05 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.667 2.244 . . . . 0.0 111.461 175.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -55.35 -38.88 69.34 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 38.6 m -62.79 -39.45 94.28 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 111.228 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -93.03 -6.12 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.341 0.591 . . . . 0.0 110.417 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' B' ' 45' ' ' LEU . 36.3 t -63.1 -30.35 71.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.52 -175.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -59.64 -49.31 78.23 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.27 -38.38 90.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.505 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -51.34 70.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.582 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.5 -35.51 80.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.375 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.92 -40.43 96.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.826 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.28 -41.91 80.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.93 0.395 . . . . 0.0 110.355 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -59.13 -52.81 64.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.761 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.646 ' O ' HG12 ' B' ' 66' ' ' ILE . 7.9 p -60.36 -52.2 66.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.93 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -55.52 -43.94 76.18 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 24.2 m -66.85 -33.66 76.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.985 0.421 . . . . 0.0 110.054 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 30.0 tp -64.76 -47.53 77.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.339 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.646 HG12 ' O ' ' B' ' 62' ' ' SER . 9.8 mm -60.52 -42.94 93.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 121.437 0.637 . . . . 0.0 109.722 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -63.81 -40.6 97.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.091 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.72 99.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.843 0.354 . . . . 0.0 110.799 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.68 -49.71 83.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.202 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -56.71 -34.79 67.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.53 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 54.3 m -70.0 -37.37 75.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.116 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -77.34 -29.94 53.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.956 0.408 . . . . 0.0 110.306 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.601 175.434 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.427 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 45.1 t . . . . . 0 N--CA 1.444 -0.732 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -63.8 -21.51 66.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.495 0.664 . . . . 0.0 109.272 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.65 -40.79 40.6 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.01 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.538 ' O ' HG13 ' A' ' 15' ' ' ILE . 77.8 mt-30 -72.53 -27.46 62.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.15 176.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 tp -56.26 -59.01 5.56 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.723 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 m -55.54 -39.44 70.58 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 123.411 0.444 . . . . 0.0 110.914 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.13 -37.82 78.16 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.214 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 11' ' ' GLN . 92.4 mt -68.21 -51.23 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.808 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -39.1 84.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.198 -177.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -62.8 -47.28 84.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.386 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.579 ' O ' HG23 ' A' ' 22' ' ' VAL . 28.6 t70 -59.64 -51.24 70.66 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.391 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.8 ttm -53.9 -42.97 69.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 86.4 mt -70.98 -47.07 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.129 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.12 82.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 111.105 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 18' ' ' ASP . 59.1 t -61.93 -40.13 86.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.375 0.607 . . . . 0.0 110.426 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.01 -45.08 95.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.626 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.45 -35.07 77.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.446 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -66.25 -40.61 90.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.761 0.315 . . . . 0.0 110.843 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -72.78 -24.66 60.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 174.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' A' ' 27' ' ' LYS . 17.5 ttmm 70.35 83.08 0.15 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.534 175.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.449 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -120.27 122.99 28.48 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.569 173.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.634 ' HD2' ' HB3' ' A' ' 32' ' ' LEU . 12.7 Cg_exo -66.78 164.35 29.74 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.538 2.159 . . . . 0.0 111.646 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 72.4 t -55.49 -40.43 58.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 111.124 -178.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 35' ' ' ILE . 1.6 p-10 -63.17 -55.09 28.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.347 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.634 ' HB3' ' HD2' ' A' ' 29' ' ' PRO . 61.9 tp -61.09 -42.7 99.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.003 0.43 . . . . 0.0 111.078 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.8 t -63.73 -35.34 80.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 1.3 tt -65.1 -36.56 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.975 0.417 . . . . 0.0 110.045 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 31' ' ' ASP . 51.6 mt -64.77 -46.27 92.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.55 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -64.14 -50.15 69.35 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.79 178.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.408 HD11 HD11 ' B' ' 37' ' ' LEU . 32.7 tp -63.23 -39.49 94.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.719 -178.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.52 -46.63 93.38 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.866 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -61.74 -46.22 90.55 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.6 ttt -59.51 -40.67 87.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.757 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.66 84.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.194 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.7 p -67.13 -38.54 85.74 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.842 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -61.05 -43.22 99.21 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.039 0.447 . . . . 0.0 110.346 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.3 tp -56.61 -52.65 64.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.198 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.432 ' HA ' HG22 ' A' ' 49' ' ' VAL . 91.2 mt -63.04 -32.08 73.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.339 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.0 p -93.28 15.74 14.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.576 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.9 m -140.93 -46.99 0.4 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.51 ' HB3' HG11 ' B' ' 30' ' ' VAL . 34.1 m -88.85 -54.54 4.09 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -171.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 45' ' ' LEU . 34.0 m -79.31 150.28 73.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.437 -174.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.21 131.87 41.42 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.17 2.58 . . . . 0.0 112.258 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -70.17 -26.06 63.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.73 -171.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.8 m -68.62 -24.29 64.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.247 0.546 . . . . 0.0 111.558 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -130.09 26.76 5.17 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 42.7 t -60.68 -53.49 56.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.27 -175.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.33 -25.34 39.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.978 0.418 . . . . 0.0 110.118 -178.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.68 97.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.161 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.01 -33.46 63.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.131 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.08 94.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.198 0.523 . . . . 0.0 110.33 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -68.93 -35.15 76.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.006 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.52 81.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.625 176.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -57.79 -48.92 78.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.67 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.662 ' O ' HG12 ' A' ' 66' ' ' ILE . 3.0 p -63.33 -45.67 90.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.471 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -63.14 -40.84 98.74 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.07 0.462 . . . . 0.0 111.123 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 t -64.82 -35.53 81.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.279 0.561 . . . . 0.0 109.544 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.2 -38.66 91.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.372 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.662 HG12 ' O ' ' A' ' 62' ' ' SER . 40.2 mm -56.35 -43.82 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 121.291 0.567 . . . . 0.0 109.936 176.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -66.67 -38.46 86.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.074 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.22 -46.07 85.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.45 -39.35 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.642 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 35.1 ttmt -56.76 -41.29 77.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.4 m -70.74 -33.5 70.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.708 0.289 . . . . 0.0 111.206 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -68.0 -38.22 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.191 0.519 . . . . 0.0 110.456 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.9 tp -77.89 -46.96 19.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.808 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 121.085 0.469 . . . . 0.0 110.941 -177.736 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.701 0.286 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -65.47 -24.23 67.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 174.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -36.95 73.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.059 172.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -69.52 -48.12 61.52 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.979 0.418 . . . . 0.0 110.095 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.604 ' O ' HG23 ' B' ' 16' ' ' VAL . 59.8 tp -57.46 -52.47 65.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.469 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 30.8 p -58.54 -38.98 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.453 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.63 84.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.768 0.318 . . . . 0.0 110.994 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.57 -46.67 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.604 HG23 ' O ' ' B' ' 12' ' ' LEU . 0.7 OUTLIER -67.33 -36.16 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.157 0.503 . . . . 0.0 109.915 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -63.57 -32.65 74.18 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.707 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.784 ' O ' HG23 ' B' ' 22' ' ' VAL . 27.0 t0 -70.08 -40.54 74.93 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.21 -40.38 89.93 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.721 176.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 16' ' ' VAL . 73.0 mt -61.68 -42.14 93.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.262 0.554 . . . . 0.0 110.021 175.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.25 -29.35 68.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.625 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.784 HG23 ' O ' ' B' ' 18' ' ' ASP . 60.0 t -65.66 -42.67 93.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.298 0.57 . . . . 0.0 109.629 176.081 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.26 -43.16 99.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.66 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -73.95 -23.93 59.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -57.97 -52.48 65.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.762 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -93.66 -18.56 22.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.506 -177.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 mttm 61.76 90.03 0.07 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.726 0.641 . . . . 0.0 110.97 -173.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.09 122.99 26.81 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.388 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.12 163.4 16.93 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.56 2.173 . . . . 0.0 111.321 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.57 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 26.0 m -61.68 -17.5 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.668 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.51 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.0 m-20 -76.44 -58.87 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.998 0.427 . . . . 0.0 110.117 175.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.46 -40.6 97.57 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.536 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -64.98 -35.1 80.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.566 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 20.3 tp -67.12 -35.72 80.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.286 -178.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.51 HG13 ' O ' ' B' ' 31' ' ' ASP . 32.7 mt -65.05 -44.2 95.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.418 178.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.54 86.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.52 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.408 HD11 HD11 ' A' ' 37' ' ' LEU . 54.3 tp -60.84 -45.72 93.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.522 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.31 -44.4 98.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.005 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -59.31 -48.35 81.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.402 . . . . 0.0 110.074 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.436 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 27.9 ttt -64.68 -46.65 81.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.033 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.57 -46.55 83.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.664 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.7 m -58.3 -49.36 77.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.594 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -60.08 -43.64 95.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.714 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' B' ' 40' ' ' MET . 68.9 mt -65.08 -47.41 77.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.853 0.359 . . . . 0.0 111.322 -178.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' B' ' 58' ' ' ALA . 95.7 mt -73.67 -13.69 61.03 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.628 -175.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 31.3 p -101.56 4.0 40.59 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.249 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.4 p -128.55 -47.69 1.29 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.678 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.7 m -76.1 -45.17 35.21 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -173.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.508 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 35.0 m -99.41 156.63 35.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.561 -178.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.508 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 18.9 Cg_endo -60.9 130.33 32.46 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.737 2.291 . . . . 0.0 112.74 -177.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -12.02 58.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.194 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 11.0 t -85.17 -12.71 52.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.115 0.483 . . . . 0.0 110.573 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 8.4 tp-100 -126.52 4.33 6.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.405 0.621 . . . . 0.0 109.726 -177.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 42.4 t -60.17 -56.51 20.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.945 -172.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.52 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.9 mp0 -59.59 -42.26 92.15 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.789 0.328 . . . . 0.0 110.555 -176.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.09 -35.23 69.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.646 -175.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 6.6 tp -73.79 -45.88 48.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.448 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.426 ' HB2' HD13 ' B' ' 45' ' ' LEU . . . -61.57 -42.33 98.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.614 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.53 -42.32 82.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.842 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.28 -46.08 91.08 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.313 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -61.29 -45.13 95.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 110.28 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.485 ' O ' HG12 ' B' ' 66' ' ' ILE . 20.1 m -64.65 -39.39 93.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.895 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.596 ' HA ' HG12 ' B' ' 66' ' ' ILE . 6.0 m-20 -67.03 -29.13 68.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.684 178.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.5 m -66.64 -36.07 81.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.962 0.41 . . . . 0.0 109.895 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.428 ' O ' HG23 ' B' ' 69' ' ' VAL . 9.6 mp -73.15 -27.5 61.7 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 175.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.596 HG12 ' HA ' ' B' ' 63' ' ' ASN . 52.1 mm -57.79 -46.24 87.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -61.27 -45.98 92.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.107 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.94 87.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.589 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 65' ' ' LEU . 54.6 t -56.41 -51.31 65.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 0.0 111.072 177.118 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -67.92 -27.0 66.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.022 0.439 . . . . 0.0 110.879 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 97.1 m -66.47 -32.76 74.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.023 0.44 . . . . 0.0 110.39 174.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -79.63 -36.54 37.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.061 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.557 -177.036 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.442 -0.856 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -60.1 -17.81 42.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.148 0.499 . . . . 0.0 109.697 172.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.77 -48.18 17.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.688 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.42 -40.05 74.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.395 0.616 . . . . 0.0 109.744 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.585 HD11 ' HB ' ' B' ' 35' ' ' ILE . 26.8 tp -53.69 -59.54 4.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.693 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.845 ' HA ' HG12 ' A' ' 16' ' ' VAL . 2.9 m -75.75 -23.38 55.98 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.299 -171.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -37.37 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.481 HD13 ' HB2' ' B' ' 28' ' ' ALA . 53.6 mt -66.65 -47.01 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.207 176.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.845 HG12 ' HA ' ' A' ' 13' ' ' SER . 9.3 p -72.53 -29.38 30.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.758 -178.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -70.27 -30.63 67.71 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.144 -0.347 . . . . 0.0 110.11 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.736 ' O ' HG23 ' A' ' 22' ' ' VAL . 19.5 t70 -69.16 -43.75 73.63 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.5 ttm -55.23 -38.03 67.95 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.777 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 16' ' ' VAL . 73.1 mt -64.63 -41.13 91.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.144 175.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.95 94.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.244 177.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 18' ' ' ASP . 24.4 t -56.23 -41.3 69.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.273 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.45 -49.11 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.853 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -61.72 -41.9 98.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.524 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -63.66 -36.52 84.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.418 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -90.61 -14.34 32.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.103 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 60.23 56.85 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.729 0.643 . . . . 0.0 110.612 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.59 127.29 55.11 Favored Pre-proline 0 N--CA 1.451 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.069 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.5 160.95 47.77 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.311 2.007 . . . . 0.0 111.259 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -57.86 -30.82 39.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.875 0.369 . . . . 0.0 110.221 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.557 ' O ' HG13 ' A' ' 35' ' ' ILE . 1.4 m-20 -57.89 -65.62 0.61 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.553 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.6 -34.34 72.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.324 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 t -65.6 -33.14 75.21 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.471 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tt -75.44 -36.66 60.7 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 31' ' ' ASP . 53.2 mt -68.31 -40.09 81.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.65 0.262 . . . . 0.0 110.474 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.63 93.03 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 174.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.13 -47.28 85.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.435 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.99 -48.93 83.46 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.509 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -62.14 -42.96 99.76 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.653 0.263 . . . . 0.0 110.749 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.6 tpt -67.54 -52.15 42.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -176.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.51 -46.48 70.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 111.17 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.6 t -62.99 -56.76 14.24 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.618 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -58.91 -46.0 88.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.67 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.53 -52.76 64.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.306 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.7 mt -72.43 -10.23 59.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.212 -175.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.511 HG21 ' HB2' ' B' ' 72' ' ' ARG . 32.0 p -109.42 3.74 21.73 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 176.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.4 p -130.51 -34.29 1.59 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.4 m -102.91 27.37 7.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.083 0.468 . . . . 0.0 111.513 -175.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.18 157.44 43.64 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.374 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.66 -69.05 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.993 2.462 . . . . 0.0 112.628 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -175.08 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.517 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.6 m -63.95 -27.49 69.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.277 0.56 . . . . 0.0 111.068 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.813 ' HB3' HD13 ' A' ' 57' ' ' LEU . 85.9 mt-30 -75.19 -5.74 46.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.384 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.4 t -55.04 -56.17 22.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.106 0.479 . . . . 0.0 110.801 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -77.91 -37.06 48.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.386 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.84 -50.14 75.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.119 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.813 HD13 ' HB3' ' A' ' 53' ' ' GLN . 9.1 mp -68.09 -35.83 78.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.47 77.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.744 0.307 . . . . 0.0 110.759 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.457 ' HG2' HD12 ' B' ' 66' ' ' ILE . 94.0 mt-30 -65.51 -44.25 87.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.53 87.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.786 0.327 . . . . 0.0 111.167 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 91.3 t80 -60.96 -48.32 82.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.115 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.594 ' HB2' ' CB ' ' B' ' 62' ' ' SER . 13.6 p -65.89 -43.2 88.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.529 -176.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.455 ' HA ' HG12 ' A' ' 66' ' ' ILE . 26.8 m-80 -67.21 -32.25 73.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.716 0.293 . . . . 0.0 111.104 177.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.5 t -63.67 -37.54 87.74 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 90.7 mt -61.82 -44.19 97.34 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.088 175.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 62' ' ' SER . 18.8 mm -55.8 -47.43 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.228 0.537 . . . . 0.0 109.984 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -62.47 -43.35 99.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.128 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.45 -46.56 89.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.86 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.444 ' HA ' ' CG2' ' B' ' 46' ' ' THR . 85.6 t -61.26 -48.16 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.627 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -62.68 -37.41 86.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.988 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.7 m -63.2 -46.16 88.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.625 0.25 . . . . 0.0 111.246 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -70.28 -37.88 74.93 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.889 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.9 -36.7 84.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.992 0.425 . . . . 0.0 110.675 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.138 179.74 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 38.2 t . . . . . 0 N--CA 1.446 -0.673 0 CA-C-O 120.857 0.361 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.73 -26.52 65.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.228 171.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.46 -33.08 48.64 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.281 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -73.46 -39.27 65.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.265 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.654 ' O ' HG23 ' B' ' 16' ' ' VAL . 50.8 tp -61.84 -53.6 53.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.262 175.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 53.3 m -53.75 -36.11 61.97 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.364 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.87 81.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.716 0.293 . . . . 0.0 110.691 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 61.4 mt -64.62 -39.52 85.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.382 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.654 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.1 t -69.03 -34.81 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -66.76 -41.56 87.56 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.195 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.504 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.5 OUTLIER -54.63 -47.56 73.32 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.469 175.099 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.448 ' O ' ' HB2' ' B' ' 23' ' ' LEU . 52.0 ttm -54.92 -44.46 74.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.796 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.38 -44.17 77.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.067 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.506 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -64.26 -53.28 51.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.25 -178.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.521 HG11 HG21 ' A' ' 22' ' ' VAL . 43.3 t -63.13 -28.47 45.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-O 120.929 0.395 . . . . 0.0 110.32 -177.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' B' ' 19' ' ' MET . 18.8 tp -60.13 -47.26 86.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.121 174.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -73.99 -26.55 60.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.066 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 32.4 mmmt -66.84 -14.91 63.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 110.932 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -116.31 -9.47 11.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.026 0.441 . . . . 0.0 109.934 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.497 ' HA ' ' HD2' ' B' ' 27' ' ' LYS . 37.1 tptt 55.37 73.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.365 -177.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.481 ' HB2' HD13 ' A' ' 15' ' ' ILE . . . -97.55 123.99 50.19 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.257 177.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 15.6 Cg_exo -67.82 160.08 49.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.842 2.362 . . . . 0.0 111.542 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.14 -39.57 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 123.182 0.301 . . . . 0.0 111.808 -176.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.499 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.8 p-10 -67.23 -52.4 41.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.408 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.17 -36.64 74.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.673 0.273 . . . . 0.0 111.142 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.8 t -61.28 -40.37 93.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.093 0.473 . . . . 0.0 109.99 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 tt -64.26 -40.17 95.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.313 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.585 ' HB ' HD11 ' A' ' 12' ' ' LEU . 39.0 mt -72.53 -45.3 59.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.96 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.682 ' HB1' ' HB ' ' A' ' 16' ' ' VAL . . . -52.73 -49.68 64.93 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.685 0.279 . . . . 0.0 110.589 171.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 23.5 tp -59.79 -37.51 79.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.196 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.41 -49.92 62.57 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.387 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -59.02 -40.67 85.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.673 0.273 . . . . 0.0 110.316 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.91 -56.89 15.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.259 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.27 -47.07 79.31 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.46 -178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 26.4 m -57.14 -55.77 30.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.761 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -66.87 -28.6 68.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.073 -175.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.92 -54.1 39.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 0.0 110.805 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.53 -16.9 61.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.199 0.523 . . . . 0.0 112.035 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 69' ' ' VAL . 22.5 p -99.03 -1.82 38.76 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m -131.64 -40.86 1.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.266 -0.574 . . . . 0.0 112.442 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -85.02 -39.66 17.77 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -172.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 28.6 m -95.28 155.07 39.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.737 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -57.19 126.85 23.42 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.073 2.515 . . . . 0.0 112.492 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.593 ' HA ' ' SG ' ' B' ' 54' ' ' CYS . 32.9 mm-40 -76.0 -4.36 40.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.27 0.557 . . . . 0.0 111.218 -176.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' THR . . . . . 0.515 HG23 ' HG3' ' B' ' 53' ' ' GLN . 9.9 t -77.95 -16.44 58.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.237 175.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.515 ' HG3' HG23 ' B' ' 52' ' ' THR . 79.1 mt-30 -135.86 6.7 3.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.343 -177.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' CYS . . . . . 0.593 ' SG ' ' HA ' ' B' ' 51' ' ' GLN . 19.8 p -64.19 -43.58 94.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.349 -175.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -65.99 -34.74 78.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.211 0.529 . . . . 0.0 110.127 -177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.81 -48.74 52.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.69 -37.08 86.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.238 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.89 85.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.933 0.396 . . . . 0.0 110.327 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -66.14 -39.0 89.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.179 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.44 -48.35 64.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.559 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.41 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 37.4 t80 -56.89 -46.42 81.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.861 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.594 ' CB ' ' HB2' ' A' ' 62' ' ' SER . 11.8 p -62.26 -55.34 29.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.426 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -60.14 -35.46 75.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.522 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 19.5 t -64.16 -41.17 97.26 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.484 ' O ' HG23 ' B' ' 69' ' ' VAL . 61.7 mt -67.03 -32.75 74.18 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.568 HG12 ' O ' ' B' ' 62' ' ' SER . 44.0 mm -59.78 -49.02 85.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.049 0.452 . . . . 0.0 110.054 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -67.57 -33.45 75.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.365 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.67 90.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.745 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 65' ' ' LEU . 55.3 t -58.16 -48.27 85.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 111.014 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -57.58 -41.16 80.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.698 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 25.8 m -72.35 -39.71 67.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.998 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.511 ' HB2' HG21 ' A' ' 46' ' ' THR . 26.8 mmt180 -57.99 -53.63 56.02 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.802 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.655 -177.174 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 N--CA 1.443 -0.789 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.29 -32.16 62.18 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.48 -35.98 65.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.863 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -71.24 -43.75 66.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.964 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.8 tp -61.92 -56.24 21.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.801 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.5 p -57.27 -36.27 70.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.469 -175.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.51 89.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.806 0.336 . . . . 0.0 110.762 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.46 -44.16 96.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.233 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.9 t -69.02 -37.35 77.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.312 . . . . 0.0 110.381 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -70.17 -29.58 66.5 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.994 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.578 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.2 m-20 -62.09 -47.13 86.0 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 173.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.5 mmt -53.92 -43.11 69.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 110.948 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.59 -47.68 82.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.847 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . -63.7 -53.52 50.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.294 -177.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 18' ' ' ASP . 61.8 t -56.59 -36.32 47.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.631 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 28' ' ' ALA . 59.2 tp -57.92 -50.3 73.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.826 176.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.36 -42.17 72.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.167 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 29.1 mtpp -62.77 -37.7 87.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.393 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -80.82 -9.48 59.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.217 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm 60.46 55.58 3.42 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.429 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.49 ' HB2' HD13 ' B' ' 15' ' ' ILE . . . -96.61 132.74 25.7 Favored Pre-proline 0 N--CA 1.45 -0.456 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 175.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.564 ' HD2' ' HB3' ' A' ' 32' ' ' LEU . 17.9 Cg_exo -66.85 154.21 75.34 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.496 2.131 . . . . 0.0 110.789 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 49.1 t -56.49 -38.39 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.048 0.451 . . . . 0.0 111.304 -175.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.437 ' O ' HG13 ' A' ' 35' ' ' ILE . 10.2 p-10 -76.8 -40.41 48.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.902 -175.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB3' ' HD2' ' A' ' 29' ' ' PRO . 38.1 tp -70.9 -32.93 70.04 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.8 t -63.75 -41.1 98.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.425 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 91.4 mt -61.35 -37.25 82.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.464 177.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 31' ' ' ASP . 62.4 mt -64.6 -44.29 96.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.745 176.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.01 -51.09 70.69 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.866 0.365 . . . . 0.0 110.21 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.7 tp -57.57 -42.29 82.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.44 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.86 -50.79 63.85 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.328 -0.463 . . . . 0.0 112.597 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -65.07 -36.84 85.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.482 0.182 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.8 ttt -68.47 -47.15 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.687 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.25 95.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.846 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.9 m -57.38 -45.58 84.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.92 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -58.2 -49.2 77.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.796 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.3 mt -70.24 -36.87 74.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.141 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 tp -74.02 -13.19 60.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.449 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.2 p -109.59 9.13 25.21 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.263 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.8 m -140.27 -45.51 0.42 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -174.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.7 m -99.52 -9.73 22.95 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -166.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.653 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 24.6 m -97.56 167.75 11.28 Favored Pre-proline 0 C--N 1.323 -0.582 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.574 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.653 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 12.4 Cg_endo -56.01 108.95 0.37 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.557 2.172 . . . . 0.0 111.209 174.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.452 ' HG3' HD21 ' B' ' 73' ' ' LEU . 3.8 tp-100 -68.0 -32.84 73.51 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.088 -169.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -81.35 -12.47 59.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.174 0.511 . . . . 0.0 111.168 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -122.87 17.88 10.17 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.576 ' HB2' HG11 ' B' ' 69' ' ' VAL . 5.5 p -53.96 -52.32 61.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.336 -173.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.68 -40.67 84.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.431 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.47 -44.99 77.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.967 0.413 . . . . 0.0 111.009 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.86 -34.25 71.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.242 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.49 81.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.641 0.258 . . . . 0.0 110.67 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -66.79 -35.81 80.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.019 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.99 85.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.003 0.43 . . . . 0.0 110.459 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.03 -45.17 93.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.949 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.699 ' O ' HG12 ' A' ' 66' ' ' ILE . 41.2 t -56.07 -59.51 4.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.539 177.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -52.05 -38.46 57.1 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.249 0.343 . . . . 0.0 111.717 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 m -60.72 -45.84 92.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.738 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.515 HD12 HD12 ' B' ' 45' ' ' LEU . 4.3 mm? -72.92 -31.32 64.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.993 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.699 HG12 ' O ' ' A' ' 62' ' ' SER . 38.0 mm -63.69 -33.0 59.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -76.97 -25.91 53.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.08 -48.55 70.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 172.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.9 t -62.19 -39.6 84.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.863 174.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -53.62 -43.42 68.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.57 175.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.5 m -70.44 -26.5 63.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.202 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -35.93 65.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.5 mt -72.68 -24.92 61.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.599 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.99 176.55 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.441 -0.884 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -68.26 -13.37 62.21 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.45 -36.19 15.57 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.775 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.427 ' O ' HG13 ' B' ' 15' ' ' ILE . 7.2 tp60 -70.73 -40.9 72.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.128 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.628 ' O ' HG23 ' B' ' 16' ' ' VAL . 54.6 tp -58.78 -59.08 6.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.621 178.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 45.7 p -54.13 -45.82 72.03 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 123.34 0.4 . . . . 0.0 111.553 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.95 71.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.49 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' A' ' 28' ' ' ALA . 81.1 mt -74.51 -49.4 31.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.835 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.628 HG23 ' O ' ' B' ' 12' ' ' LEU . 0.8 OUTLIER -66.67 -35.06 73.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.19 0.519 . . . . 0.0 109.84 -178.616 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.84 -43.17 99.5 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.945 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.763 ' O ' HG23 ' B' ' 22' ' ' VAL . 34.2 t70 -67.91 -43.16 79.89 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -177.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 61.4 mtt -54.27 -42.69 70.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.595 0.236 . . . . 0.0 111.377 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.83 -43.03 89.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.649 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.595 ' O ' ' HB2' ' B' ' 25' ' ' LYS . . . -62.54 -38.11 88.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.763 HG23 ' O ' ' B' ' 18' ' ' ASP . 44.7 t -67.66 -41.61 85.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.112 0.482 . . . . 0.0 109.962 177.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.3 tp -57.93 -56.52 20.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.731 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.471 ' HG3' ' HD2' ' B' ' 27' ' ' LYS . 35.8 tt0 -75.51 -8.47 56.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.979 0.419 . . . . 0.0 110.905 -177.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' B' ' 21' ' ' ALA . 33.7 ttmt -67.78 -29.15 68.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -99.73 -18.35 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.238 172.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.471 ' HD2' ' HG3' ' B' ' 24' ' ' GLU . 39.8 tptt 61.29 89.46 0.08 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.584 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -108.26 135.82 19.9 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.201 177.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' B' ' 32' ' ' LEU . 27.3 Cg_exo -62.06 158.94 36.51 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.584 2.189 . . . . 0.0 111.311 175.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 33.4 m -56.14 -29.45 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.343 . . . . 0.0 111.757 -178.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.42 ' O ' HG13 ' B' ' 35' ' ' ILE . 15.9 t70 -76.99 -52.51 9.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.731 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.566 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 35.7 tp -62.37 -40.23 95.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.014 0.435 . . . . 0.0 110.438 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -65.4 -32.31 73.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.518 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 13.7 tp -67.39 -34.04 76.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.003 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.42 HG13 ' O ' ' B' ' 31' ' ' ASP . 38.5 mt -69.24 -44.18 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.297 177.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.42 98.84 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.31 175.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.43 -45.01 96.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.132 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.92 -51.77 56.52 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.241 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -60.47 -38.05 82.97 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.759 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 13.7 tpt -66.97 -48.1 69.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.2 87.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.748 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 27.1 t -59.37 -44.34 92.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.221 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -58.54 -51.79 68.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.587 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.51 -46.18 87.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.561 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 65' ' ' LEU . 91.8 mt -77.31 -12.19 59.92 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -173.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 20.4 p -100.96 -14.66 17.79 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.303 -0.559 . . . . 0.0 112.083 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 75.5 p -127.32 -37.26 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -174.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 11.9 m -112.15 25.49 11.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -164.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.443 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 35.4 m -127.28 161.63 53.21 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 177.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.443 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 12.6 Cg_endo -57.62 111.36 0.81 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.327 2.018 . . . . 0.0 110.737 173.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -60.78 -24.62 65.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -170.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 20.9 p -90.53 -46.75 8.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.085 0.469 . . . . 0.0 111.634 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -91.8 16.12 11.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.968 -176.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 6.6 p -55.95 -43.48 77.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.066 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.45 -39.86 92.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.995 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.04 -55.74 20.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.894 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.15 -40.67 94.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.622 -176.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.95 -49.33 78.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 111.096 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -79.36 -26.26 42.1 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.094 -177.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.6 90.11 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 174.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.444 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 65.4 t80 -62.62 -42.39 99.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.188 176.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.575 ' O ' HG12 ' B' ' 66' ' ' ILE . 49.1 m -59.08 -57.1 14.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -60.13 -33.05 71.62 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.783 -0.189 . . . . 0.0 111.306 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 70.1 m -62.29 -41.52 98.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.465 ' O ' HG23 ' B' ' 69' ' ' VAL . 95.5 mt -63.31 -46.44 86.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.393 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.575 HG12 ' O ' ' B' ' 62' ' ' SER . 14.3 mm -57.64 -49.29 81.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 121.058 0.456 . . . . 0.0 110.166 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -63.71 -41.38 98.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.902 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.69 68.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.984 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 54' ' ' CYS . 60.1 t -62.86 -46.74 95.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.714 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.89 -37.6 74.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.259 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 50.8 m -76.47 -39.27 53.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.765 0.317 . . . . 0.0 111.229 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -65.64 -45.82 81.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.662 0.267 . . . . 0.0 111.137 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.452 HD21 ' HG3' ' A' ' 51' ' ' GLN . 10.8 mp . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.793 0.33 . . . . 0.0 110.299 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.726 ' HB2' ' HG3' ' A' ' 11' ' ' GLN . 18.1 m . . . . . 0 N--CA 1.447 -0.604 0 CA-C-O 120.592 0.234 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.12 -34.6 68.52 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 170.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.97 94.89 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.38 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.726 ' HG3' ' HB2' ' A' ' 8' ' ' SER . 45.9 mt-30 -68.57 -46.67 68.81 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.077 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.683 ' O ' HG23 ' A' ' 16' ' ' VAL . 63.3 tp -61.03 -59.25 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.861 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -56.31 -39.35 72.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.552 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.43 96.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.754 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.0 mt -69.16 -49.27 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.203 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.0 t -63.98 -45.61 96.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.95 0.405 . . . . 0.0 110.647 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -66.41 -34.91 79.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.663 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -71.71 -37.87 70.58 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.417 ' HA ' HG22 ' A' ' 22' ' ' VAL . 53.0 tpp -62.36 -45.77 91.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.66 177.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.5 mt -62.61 -38.95 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.114 0.483 . . . . 0.0 110.29 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.84 -52.63 55.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.103 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 19' ' ' MET . 33.2 m -67.47 -24.64 31.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.649 0.261 . . . . 0.0 110.96 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.18 -38.27 89.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 110.093 175.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 1.8 tm-20 -66.18 -43.25 87.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.972 178.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 3.7 mptp? -75.19 -21.65 58.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.063 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.37 -34.24 55.09 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 171.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 48.2 mttp 56.95 75.34 0.37 Allowed 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.959 -175.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.47 106.03 43.03 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.16 173.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.97 165.41 16.6 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.522 2.148 . . . . 0.0 111.845 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p -51.11 -29.91 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.621 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' O ' HG13 ' A' ' 35' ' ' ILE . 3.9 m-20 -60.89 -68.89 0.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.191 0.519 . . . . 0.0 110.513 176.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -66.23 -36.77 83.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.366 -175.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.3 t -63.17 -42.0 99.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.387 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.22 -38.97 92.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.301 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 31' ' ' ASP . 44.7 mt -68.61 -41.37 82.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.87 0.367 . . . . 0.0 110.694 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -61.97 -48.93 78.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.515 177.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.13 -29.01 69.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.585 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.49 -52.11 51.44 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.07 176.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -63.88 -36.66 84.66 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.072 0.463 . . . . 0.0 110.764 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -66.52 -48.1 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.589 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.08 -55.55 33.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.569 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.7 p -58.76 -46.96 86.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.699 0.285 . . . . 0.0 110.9 -176.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -57.19 -54.1 50.56 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.924 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.94 -43.26 96.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.636 -177.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.493 ' O ' HG22 ' A' ' 49' ' ' VAL . 83.7 mt -59.81 -26.48 65.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.737 0.303 . . . . 0.0 111.255 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.2 p -96.39 16.05 19.6 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.9 t -147.67 -20.48 0.37 Allowed 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.0 p -99.23 -41.31 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.862 -0.524 . . . . 0.0 111.835 -176.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.83 HG23 ' H ' ' A' ' 51' ' ' GLN . 4.8 m -76.99 171.63 11.9 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -176.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.487 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 51.3 Cg_exo -56.46 -11.74 7.02 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.26 2.64 . . . . 0.0 113.739 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.83 ' H ' HG23 ' A' ' 49' ' ' VAL . 48.9 tt0 75.35 -55.32 0.63 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.762 0.825 . . . . 0.0 111.752 173.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.9 m -66.65 -23.52 66.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.259 0.552 . . . . 0.0 110.959 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HG2' ' HB3' ' A' ' 56' ' ' ALA . 53.5 tt0 -119.21 22.28 11.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.724 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.7 t -55.79 -46.94 77.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.518 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.608 ' HG3' HG23 ' B' ' 66' ' ' ILE . 35.1 tt0 -62.31 -41.06 98.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.382 -175.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.52 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . . . -66.61 -39.58 88.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.84 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.51 -37.99 86.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.697 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.37 88.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.818 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -66.96 -36.92 83.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.158 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.97 86.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.881 0.372 . . . . 0.0 110.547 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -64.95 -42.08 94.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.648 ' O ' HG12 ' A' ' 66' ' ' ILE . 48.5 t -56.64 -55.64 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.7 177.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -56.3 -35.76 67.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.618 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.2 t -63.76 -40.05 95.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.837 0.351 . . . . 0.0 110.232 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 69' ' ' VAL . 92.5 mt -67.51 -45.39 75.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.187 177.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.648 HG12 ' O ' ' A' ' 62' ' ' SER . 17.4 mm -56.98 -48.3 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.821 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -56.59 -44.11 80.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.062 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.31 84.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.074 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 65' ' ' LEU . 91.2 t -60.99 -49.08 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HD2' HG22 ' A' ' 66' ' ' ILE . 29.1 mtpp -59.16 -39.63 83.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.288 -178.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.2 m -70.19 -28.45 65.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.355 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 72' ' ' ARG . 35.7 ttt-85 -87.89 -42.6 12.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.942 0.401 . . . . 0.0 111.149 -178.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.39 -1.01 57.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.444 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 N--CA 1.468 0.425 0 C-N-CA 123.82 0.848 . . . . 0.0 113.096 -179.552 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.445 ' HB3' ' CB ' ' B' ' 11' ' ' GLN . 12.9 t . . . . . 0 N--CA 1.445 -0.676 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.37 -26.26 67.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.02 -38.46 44.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.335 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.445 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 24.1 tp60 -63.76 -46.31 85.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.831 175.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.672 ' O ' HG23 ' B' ' 16' ' ' VAL . 53.0 tp -60.47 -55.52 32.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.802 -179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 67.1 m -51.73 -44.42 63.26 Favored 'General case' 0 C--O 1.226 -0.16 0 O-C-N 123.428 0.455 . . . . 0.0 111.676 -176.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.18 90.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.566 0.222 . . . . 0.0 111.386 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.403 HG13 ' O ' ' B' ' 11' ' ' GLN . 75.7 mt -68.13 -45.85 82.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.675 0.274 . . . . 0.0 110.691 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.672 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.1 t -69.0 -38.07 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -63.25 -36.97 85.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.815 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.78 ' O ' HG23 ' B' ' 22' ' ' VAL . 35.4 t70 -68.13 -43.93 77.24 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 25.9 mmt -54.79 -44.46 73.77 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.406 0.441 . . . . 0.0 110.961 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.8 mt -60.87 -40.45 85.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.343 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.27 -42.84 83.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.947 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.78 HG23 ' O ' ' B' ' 18' ' ' ASP . 47.7 t -56.89 -42.43 78.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 121.011 0.434 . . . . 0.0 110.488 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' B' ' 28' ' ' ALA . 55.1 tp -66.17 -41.84 89.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.808 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -71.62 -43.15 66.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.39 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -64.49 -42.28 95.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.043 0.449 . . . . 0.0 111.197 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -87.0 -17.72 32.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.49 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.521 ' NZ ' ' HB3' ' B' ' 27' ' ' LYS . 8.9 mtpm? 52.11 46.76 26.06 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.417 0.448 . . . . 0.0 111.402 -177.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.405 ' HB3' HD12 ' B' ' 23' ' ' LEU . . . -68.83 124.63 90.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.79 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -54.65 142.89 71.32 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.49 2.127 . . . . 0.0 111.696 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.589 ' O ' HD23 ' B' ' 34' ' ' LEU . 31.2 m -68.93 5.38 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.506 0.669 . . . . 0.0 111.266 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.537 ' O ' HG13 ' B' ' 35' ' ' ILE . 21.0 t70 -92.82 -57.8 2.54 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.547 172.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.21 -29.83 48.55 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.989 -174.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 20.6 p -62.56 -38.14 88.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.946 0.403 . . . . 0.0 110.134 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.589 HD23 ' O ' ' B' ' 30' ' ' VAL . 4.2 mm? -74.75 -32.42 62.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.673 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 31' ' ' ASP . 73.6 mt -65.53 -48.41 82.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 120.724 0.297 . . . . 0.0 110.301 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.49 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -55.8 -42.26 75.35 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.721 173.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.17 -46.54 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.821 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.72 -44.33 98.06 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.096 -0.574 . . . . 0.0 112.331 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -57.74 -48.97 78.1 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.008 0.433 . . . . 0.0 110.401 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 56.2 ttp -67.16 -43.45 82.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.803 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.84 83.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.98 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.7 m -57.47 -48.57 78.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.962 0.41 . . . . 0.0 110.983 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -63.37 -40.38 97.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.98 -41.95 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.465 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -68.91 -20.54 64.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.747 0.308 . . . . 0.0 111.756 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.2 p -101.01 13.05 36.48 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.462 -0.495 . . . . 0.0 112.003 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.3 p -139.82 -48.68 0.46 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.3 m -94.52 -10.46 32.14 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -167.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.656 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 21.1 m -120.28 164.45 22.65 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.656 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 10.0 Cg_endo -53.93 102.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.727 2.285 . . . . 0.0 112.032 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.534 ' HA ' ' HB3' ' B' ' 54' ' ' CYS . 12.8 pt20 -78.98 -0.65 31.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.724 -173.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 24.9 p -87.19 -24.52 24.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.348 0.594 . . . . 0.0 110.236 175.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -117.56 22.65 12.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' CYS . . . . . 0.534 ' HB3' ' HA ' ' B' ' 51' ' ' GLN . 4.9 p -48.97 -48.21 43.39 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.824 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.63 -45.27 94.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.627 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.52 73.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.494 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.17 -42.21 99.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.238 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.87 -43.71 98.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.944 0.402 . . . . 0.0 110.98 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -69.74 -37.36 76.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.61 87.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.775 0.321 . . . . 0.0 111.098 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -63.93 -43.69 95.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.768 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.597 ' O ' HG12 ' B' ' 66' ' ' ILE . 8.5 p -66.92 -43.07 84.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.229 -178.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -59.82 -33.02 71.21 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.809 0.337 . . . . 0.0 111.043 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 31.1 m -66.45 -39.48 88.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.948 0.404 . . . . 0.0 110.03 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.486 ' O ' HG23 ' B' ' 69' ' ' VAL . 98.7 mt -65.84 -35.61 81.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.495 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.608 HG23 ' HG3' ' A' ' 55' ' ' GLU . 40.2 mm -58.06 -41.85 81.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 121.382 0.611 . . . . 0.0 110.128 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.84 -37.64 86.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.349 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.22 85.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.18 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 65' ' ' LEU . 86.3 t -58.21 -46.53 88.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.903 0.382 . . . . 0.0 110.184 175.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.41 -38.33 89.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.86 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 40.1 m -60.46 -33.77 73.04 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 111.239 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -80.59 -37.54 31.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.074 0.464 . . . . 0.0 110.34 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 52.1 tp . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.106 -177.951 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.431 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 42.0 t . . . . . 0 N--CA 1.449 -0.479 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -70.66 -22.16 62.52 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.38 -33.48 37.16 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.431 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 57.7 tt0 -62.3 -46.14 90.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.385 173.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.4 tm? -57.18 -52.18 66.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.952 174.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -56.06 -40.87 74.19 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.296 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.85 78.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.797 0.332 . . . . 0.0 111.241 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.7 mt -72.2 -44.37 64.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.6 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.8 t -64.48 -38.49 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -56.38 -42.25 77.58 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.975 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.735 ' O ' HG23 ' A' ' 22' ' ' VAL . 6.8 t0 -62.45 -57.98 9.28 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.2 ttp -53.25 -44.96 68.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.778 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.0 mt -60.71 -45.57 97.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 110.452 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.37 -34.17 77.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.495 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 18' ' ' ASP . 60.1 t -66.68 -42.55 89.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.082 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 mp -68.03 -35.53 78.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.595 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -65.33 -26.67 68.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.192 0.52 . . . . 0.0 109.724 174.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -75.32 -24.82 57.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.745 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -98.42 -34.52 10.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.957 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 tptm 57.46 78.62 0.22 Allowed 'General case' 0 CA--C 1.531 0.22 0 O-C-N 123.915 0.759 . . . . 0.0 111.37 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.86 143.69 26.81 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.158 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.23 38.62 0.55 Allowed 'Trans proline' 0 N--CA 1.477 0.528 0 C-N-CA 123.258 2.639 . . . . 0.0 114.235 -172.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.5 t 71.89 -52.23 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.604 0.762 . . . . 0.0 112.153 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.85 -59.73 4.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.137 0.494 . . . . 0.0 110.695 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.495 HD23 HD12 ' A' ' 35' ' ' ILE . 97.1 mt -66.35 -28.06 68.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.15 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -62.97 -39.24 94.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.978 0.418 . . . . 0.0 110.097 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -71.53 -38.43 71.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.81 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.495 HD12 HD23 ' A' ' 32' ' ' LEU . 54.1 mt -64.52 -43.15 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.668 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.51 -46.55 89.72 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.262 176.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.0 -41.49 87.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.715 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.8 -53.26 47.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.226 -0.512 . . . . 0.0 112.242 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.458 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 93.3 m-20 -61.04 -40.95 95.54 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.83 0.348 . . . . 0.0 110.719 178.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.9 ttt -64.65 -54.0 38.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.42 -177.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.51 84.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.375 -176.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 t -63.81 -40.57 96.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.542 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 24.3 t-20 -59.81 -45.71 91.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.823 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.54 -37.21 76.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.956 0.407 . . . . 0.0 111.098 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.3 mt -75.93 -13.4 60.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.668 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.42 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 18.8 p -107.59 8.68 29.31 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.741 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.7 p -126.44 -46.0 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.8 t -87.47 -56.23 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.72 -172.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.501 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 29.0 m -76.12 162.84 69.96 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.716 -177.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.52 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . 78.2 Cg_exo -47.17 119.65 3.66 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.984 2.456 . . . . 0.0 112.416 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.919 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 79.8 mt-30 -70.86 -21.09 62.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.969 -172.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 p -83.34 -14.56 52.64 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.629 0.728 . . . . 0.0 110.554 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HB2' ' HB2' ' A' ' 50' ' ' PRO . 78.2 mt-30 -106.57 4.7 28.37 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.083 178.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.919 ' SG ' ' HA ' ' A' ' 51' ' ' GLN . 68.1 m -53.5 -45.55 69.72 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.363 0.414 . . . . 0.0 111.225 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.14 -44.99 90.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.94 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.11 76.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.217 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -68.58 -37.05 79.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.925 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.25 -44.68 95.99 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -59.67 -44.76 93.45 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.745 175.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.7 98.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -64.12 -55.26 23.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.649 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.646 ' O ' HG12 ' A' ' 66' ' ' ILE . 74.6 p -62.35 -46.57 88.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.183 -175.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -61.63 -30.9 71.01 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -65.93 -36.74 84.2 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 69' ' ' VAL . 4.1 mm? -71.99 -39.75 69.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.692 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.646 HG12 ' O ' ' A' ' 62' ' ' SER . 26.4 mm -60.51 -46.2 95.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.05 0.452 . . . . 0.0 109.853 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -63.08 -34.22 77.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.816 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.6 98.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.301 176.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 65' ' ' LEU . 89.5 t -62.19 -41.39 91.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.367 176.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 66' ' ' ILE . 73.9 mmtt -59.83 -41.99 92.57 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.409 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.8 m -72.21 -32.75 67.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.877 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -78.46 -15.89 58.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.133 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.7 tp -86.8 -51.44 6.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.073 0.463 . . . . 0.0 110.294 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.255 -179.236 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 63.2 m . . . . . 0 N--CA 1.437 -1.088 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -63.4 -14.58 51.86 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.47 -39.1 67.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -69.09 -42.26 76.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.489 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.67 ' O ' HG23 ' B' ' 16' ' ' VAL . 42.4 tp -58.52 -54.18 49.91 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.605 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.3 m -53.33 -42.93 67.25 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 123.375 0.422 . . . . 0.0 111.242 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.62 88.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.115 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 60.6 mt -73.89 -46.31 46.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.355 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.4 t -65.68 -39.54 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.028 0.442 . . . . 0.0 110.316 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -66.75 -33.82 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.737 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.758 ' O ' HG23 ' B' ' 22' ' ' VAL . 22.8 t70 -72.28 -34.72 68.39 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 56.1 mtt -58.63 -42.07 87.45 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 123.484 0.49 . . . . 0.0 110.945 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.98 -40.41 88.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.226 0.536 . . . . 0.0 109.874 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.91 -30.35 71.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.746 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.758 HG23 ' O ' ' B' ' 18' ' ' ASP . 47.0 t -62.61 -47.28 93.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.127 175.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.06 -40.75 94.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.463 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.74 -37.96 73.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.486 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -61.85 -43.48 98.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.43 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -96.71 -2.17 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.805 0.336 . . . . 0.0 110.189 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp 55.6 76.54 0.27 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.547 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.59 118.47 45.16 Favored Pre-proline 0 N--CA 1.449 -0.517 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.688 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.7 165.56 30.48 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.231 1.954 . . . . 0.0 110.316 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.472 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 34.2 m -58.6 -29.62 39.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -174.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.459 ' O ' HG13 ' B' ' 35' ' ' ILE . 2.9 m-20 -56.43 -65.04 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.529 0.68 . . . . 0.0 110.071 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 mt -68.11 -33.76 75.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.867 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.505 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 43.5 t -62.91 -43.21 99.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.962 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 30' ' ' VAL . 82.9 mt -66.98 -38.42 86.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.508 0.194 . . . . 0.0 110.757 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 31' ' ' ASP . 57.6 mt -64.17 -45.12 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.384 177.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.461 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -57.26 -44.92 84.34 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 176.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' B' ' 33' ' ' SER . 93.5 mt -62.52 -42.17 99.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.416 177.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.66 -44.21 98.13 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.135 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -61.8 -46.52 89.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.813 0.339 . . . . 0.0 110.476 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 15.8 tpt -64.03 -42.19 97.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.923 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.09 91.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.669 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -62.78 -48.94 76.99 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.111 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -54.32 -47.63 72.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.979 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.02 -49.08 76.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.47 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.83 -12.17 61.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 20.8 p -105.02 1.24 28.43 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.06 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -135.13 -43.57 0.72 Allowed 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -178.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.4 m -89.98 9.71 26.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.951 0.405 . . . . 0.0 111.737 -170.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.621 HG12 HD12 ' B' ' 57' ' ' LEU . 34.2 m -98.58 147.8 33.66 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.34 -67.11 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.681 2.254 . . . . 0.0 111.85 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -170.46 -89.07 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.001 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -71.71 -11.51 60.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.339 0.59 . . . . 0.0 110.82 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -81.46 4.25 21.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.479 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' CYS . . . . . 0.453 ' HB3' HG21 ' B' ' 49' ' ' VAL . 11.2 p -57.55 -44.26 85.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.33 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -54.19 -53.35 54.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.232 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.37 86.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.522 -176.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.621 HD12 HG12 ' B' ' 49' ' ' VAL . 86.1 mt -71.98 -36.21 69.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.409 -176.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.17 -50.35 66.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 110.642 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.434 ' OE1' HD12 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -67.36 -31.94 72.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.044 178.472 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.7 83.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.902 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.87 -40.19 87.81 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.024 0.44 . . . . 0.0 110.101 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.72 ' O ' HG12 ' B' ' 66' ' ' ILE . 43.7 t -60.84 -64.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.638 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.72 -43.25 80.42 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.904 -172.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 69.2 p -63.11 -38.73 92.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.809 0.338 . . . . 0.0 110.84 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 tt -71.02 -39.84 72.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.832 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.72 HG12 ' O ' ' B' ' 62' ' ' SER . 20.2 mm -61.11 -46.54 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-O 121.252 0.548 . . . . 0.0 109.95 177.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.432 ' HA ' ' HB2' ' B' ' 70' ' ' LYS . 61.5 t30 -63.79 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.757 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.252 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.0 -44.42 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.824 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.432 ' HB2' ' HA ' ' B' ' 67' ' ' ASN . 23.8 mmtm -54.89 -39.66 68.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.584 176.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 37.1 m -76.39 -26.79 55.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.515 -177.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -78.15 -39.68 40.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 0.0 110.019 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 53.6 tp . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.25 178.855 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.49 ' HB3' ' CB ' ' A' ' 11' ' ' GLN . 40.0 t . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -69.84 -19.9 63.44 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.44 -35.92 46.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.518 175.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.49 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 59.8 tt0 -64.35 -38.83 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.958 174.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 16' ' ' VAL . 63.0 tp -58.25 -54.77 43.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.474 177.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -35.42 64.91 Favored 'General case' 0 C--O 1.226 -0.137 0 O-C-N 123.069 0.231 . . . . 0.0 111.426 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.53 92.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 0.0 110.655 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.8 mt -64.18 -43.3 97.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.026 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.5 t -71.62 -27.57 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.174 0.512 . . . . 0.0 110.134 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -72.24 -35.29 68.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.454 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.718 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -63.33 -42.26 98.94 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.371 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 16' ' ' VAL . 22.9 mmt -51.6 -47.65 63.51 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.412 0.445 . . . . 0.0 110.809 176.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.93 -41.89 87.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.65 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.573 ' O ' ' HD3' ' A' ' 25' ' ' LYS . . . -66.0 -52.2 51.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.604 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 18' ' ' ASP . 48.4 t -54.9 -40.59 53.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.807 -178.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 28' ' ' ALA . 37.2 tp -67.54 -38.79 84.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.015 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.26 -42.63 65.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.812 -174.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 2.4 mptm? -55.02 -56.29 21.44 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.881 0.372 . . . . 0.0 111.761 -176.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -79.03 -18.1 54.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 tttp 56.08 77.12 0.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.382 -175.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.452 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -99.04 120.15 59.11 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.182 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.15 162.69 31.9 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.545 2.163 . . . . 0.0 111.868 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.8 m -55.34 -27.21 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.787 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.503 ' O ' HG13 ' A' ' 35' ' ' ILE . 6.9 m-20 -64.59 -65.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.94 0.4 . . . . 0.0 110.525 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.5 mt -67.17 -34.0 76.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.415 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.45 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 39.2 t -63.69 -42.16 98.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.695 0.283 . . . . 0.0 110.528 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.43 -40.26 89.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.1 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 31' ' ' ASP . 49.3 mt -65.92 -41.73 90.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.5 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.455 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.04 -48.17 82.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.447 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 33' ' ' SER . 99.0 mt -62.29 -41.65 98.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.533 177.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.91 -49.62 73.87 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.436 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -60.13 -43.23 95.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.976 0.417 . . . . 0.0 110.612 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.474 ' O ' HD13 ' A' ' 44' ' ' LEU . 54.3 ttp -65.73 -51.37 59.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.059 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.21 -46.96 87.07 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.578 ' HB3' HD22 ' B' ' 65' ' ' LEU . 16.2 p -61.07 -46.26 91.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 110.479 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.63 -47.15 85.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.595 176.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 40' ' ' MET . 4.8 mp -57.98 -49.03 78.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.722 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 97.4 mt -63.9 -30.93 71.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.337 -177.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 p -96.88 11.14 36.92 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.937 -177.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.4 m -134.52 -46.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.446 ' HB3' HG11 ' B' ' 30' ' ' VAL . 17.5 m -82.81 -58.76 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.699 0.285 . . . . 0.0 111.764 -172.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.611 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 28.8 m -84.71 169.81 15.46 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -178.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.724 ' HB2' ' HB3' ' A' ' 53' ' ' GLN . 79.2 Cg_exo -48.7 117.95 3.06 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.63 2.22 . . . . 0.0 111.724 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -53.67 -43.62 69.03 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -169.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -16.55 30.53 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -176.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.724 ' HB3' ' HB2' ' A' ' 50' ' ' PRO . 59.5 tt0 -94.0 -3.98 50.44 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.354 0.597 . . . . 0.0 109.488 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 18.6 p -70.89 -30.05 66.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.205 -175.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.62 ' HG3' HG23 ' B' ' 66' ' ' ILE . 32.4 tt0 -62.44 -37.7 86.89 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.909 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.34 94.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.227 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.86 -40.21 91.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.214 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.79 97.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.812 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -67.06 -37.84 84.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 175.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.41 98.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.501 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -62.83 -38.2 89.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.166 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.654 ' O ' HG12 ' A' ' 66' ' ' ILE . 33.2 t -58.29 -57.77 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.141 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -56.58 -33.13 65.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.264 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.5 m -65.44 -41.23 93.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.254 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 69' ' ' VAL . 92.5 mt -67.92 -39.81 83.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.536 176.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.654 HG12 ' O ' ' A' ' 62' ' ' SER . 23.3 mm -59.98 -42.92 91.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -62.86 -40.0 96.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.611 175.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.26 90.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.611 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.517 HG11 ' HB3' ' B' ' 55' ' ' GLU . 92.7 t -59.38 -47.48 90.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.436 176.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -56.24 -47.98 77.4 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.759 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.7 m -67.56 -19.83 65.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.088 0.47 . . . . 0.0 111.331 -176.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -82.99 -39.57 21.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.948 0.404 . . . . 0.0 110.773 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.9 mt -93.55 -25.59 17.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.987 -175.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.321 -0.658 0 CA-C-O 121.101 0.477 . . . . 0.0 109.973 -176.446 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.506 ' HB2' ' HG2' ' B' ' 11' ' ' GLN . 58.8 m . . . . . 0 N--CA 1.446 -0.657 0 CA-C-O 121.165 0.507 . . . . 0.0 111.573 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.56 -20.72 61.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 171.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.19 -35.9 66.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.637 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.506 ' HG2' ' HB2' ' B' ' 8' ' ' SER . 75.3 mm-40 -67.22 -49.29 65.06 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.691 176.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.673 ' O ' HG23 ' B' ' 16' ' ' VAL . 52.0 tp -59.45 -56.07 26.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.007 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 72.1 p -57.8 -40.86 80.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.365 -174.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.92 -42.99 85.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.906 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.29 -53.86 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.983 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.1 t -63.47 -43.25 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.783 0.325 . . . . 0.0 111.217 -173.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -72.17 -31.99 66.43 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.296 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.733 ' O ' HG23 ' B' ' 22' ' ' VAL . 22.2 t70 -72.45 -42.25 65.2 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 53.1 mtt -54.18 -46.95 72.49 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.471 0.482 . . . . 0.0 110.866 176.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 16' ' ' VAL . 77.0 mt -54.09 -45.96 66.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.991 0.424 . . . . 0.0 110.401 176.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.93 -37.86 85.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.373 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 18' ' ' ASP . 46.7 t -69.35 -38.2 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.699 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.57 -44.21 82.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.714 0.292 . . . . 0.0 110.283 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -58.96 -38.53 79.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.431 0.634 . . . . 0.0 109.655 174.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.502 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 17.7 tppt? -57.99 -32.63 68.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.292 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -93.11 -14.52 27.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.039 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' B' ' 27' ' ' LYS . 66.6 mmtt 54.47 44.73 28.37 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 123.481 0.488 . . . . 0.0 110.825 -177.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.9 123.9 83.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.342 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.37 158.93 37.96 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.296 1.997 . . . . 0.0 111.38 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.446 HG11 ' HB3' ' A' ' 48' ' ' SER . 33.1 m -63.07 -17.42 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.994 0.426 . . . . 0.0 111.013 -178.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.545 ' O ' HG13 ' B' ' 35' ' ' ILE . 18.1 t70 -68.78 -63.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.51 177.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.86 -33.08 71.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.797 -174.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 16.5 p -65.38 -38.72 90.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.799 0.333 . . . . 0.0 111.021 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 68.5 mt -72.68 -32.64 65.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.798 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 31' ' ' ASP . 62.3 mt -67.0 -39.07 82.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.834 0.35 . . . . 0.0 110.212 176.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.424 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -59.46 -46.87 87.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.113 174.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.81 -40.29 92.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.303 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.82 -53.81 42.32 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.422 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -60.25 -42.52 95.47 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.714 0.292 . . . . 0.0 111.009 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.9 ttt -62.42 -50.12 72.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.034 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.94 96.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.523 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 40.6 m -60.01 -49.24 78.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.22 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.32 -35.63 81.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.004 0.431 . . . . 0.0 110.388 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.64 -52.31 58.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.86 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' B' ' 58' ' ' ALA . 96.5 mt -65.07 -26.0 68.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.928 -175.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 15.9 p -89.38 -1.42 58.05 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.4 p -128.19 -44.7 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 17.0 m -89.09 -21.14 23.55 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -169.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.581 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 34.9 m -121.42 166.38 16.43 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.581 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 84.5 Cg_exo -48.06 119.82 4.29 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.941 2.428 . . . . 0.0 112.676 177.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.86 -31.38 72.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.892 -175.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' THR . . . . . 0.514 HG23 ' HG3' ' B' ' 53' ' ' GLN . 12.4 t -86.19 -5.94 59.09 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.386 -177.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.53 ' HB2' ' HB2' ' B' ' 50' ' ' PRO . 76.9 mt-30 -126.45 6.0 6.93 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.739 -177.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 17.7 p -67.62 -31.4 71.4 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.732 -177.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.517 ' HB3' HG11 ' A' ' 69' ' ' VAL . 10.4 pt-20 -63.9 -34.58 78.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.992 0.425 . . . . 0.0 110.518 176.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.43 -44.31 71.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.303 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' B' ' 57' ' ' LEU . 4.3 mm? -66.86 -40.43 87.87 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.101 179.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.472 ' HB2' HD13 ' B' ' 45' ' ' LEU . . . -62.05 -45.5 93.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.104 0.478 . . . . 0.0 110.624 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -64.15 -40.58 96.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.292 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.25 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.146 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.469 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 80.3 t80 -55.65 -43.72 76.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.079 0.466 . . . . 0.0 110.191 178.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.692 ' O ' HG12 ' B' ' 66' ' ' ILE . 47.3 t -61.86 -51.38 68.45 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.64 176.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -55.42 -42.95 74.83 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.759 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 50.8 m -59.06 -38.14 78.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.569 177.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' A' ' 42' ' ' SER . 80.4 mt -73.54 -38.58 65.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.692 HG12 ' O ' ' B' ' 62' ' ' SER . 49.2 mm -54.76 -49.32 69.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.448 0.642 . . . . 0.0 110.359 178.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -70.36 -32.25 69.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.702 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.25 86.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.734 0.302 . . . . 0.0 110.625 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 65' ' ' LEU . 75.5 t -57.49 -51.51 68.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.027 0.442 . . . . 0.0 109.844 174.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -58.71 -34.27 71.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.766 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 61.9 m -67.21 -34.15 76.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.556 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -87.6 -37.93 16.38 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.172 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 120.926 0.393 . . . . 0.0 111.332 -178.293 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.441 -0.907 0 CA-C-O 121.031 0.443 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.11 -14.39 47.95 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.93 -45.8 40.06 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.367 176.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 15' ' ' ILE . 22.0 mt-30 -76.88 -34.27 57.78 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.621 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.5 tp -60.15 -59.84 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.24 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 m -59.68 -32.3 70.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.202 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.443 ' O ' ' HB3' ' A' ' 17' ' ' ASN . . . -58.79 -45.78 89.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.575 0.226 . . . . 0.0 110.913 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 11' ' ' GLN . 70.2 mt -65.73 -47.98 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -66.22 -23.67 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.056 0.455 . . . . 0.0 109.888 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' A' ' 14' ' ' ALA . 25.2 t-20 -66.21 -50.9 62.27 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.068 177.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.806 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.5 p30 -75.88 -22.17 56.41 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.622 -177.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.0 mtt -56.96 -43.49 81.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.894 0.378 . . . . 0.0 110.127 169.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.14 -44.7 92.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.82 175.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . -60.93 -37.84 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.109 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 18' ' ' ASP . 43.2 t -61.74 -41.51 90.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-O 121.118 0.485 . . . . 0.0 110.224 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.87 -38.79 92.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.831 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.6 -21.93 59.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.75 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 63.0 mttp -75.65 -24.95 56.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.709 0.29 . . . . 0.0 111.336 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -110.26 -33.59 6.61 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.098 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 53.04 78.11 0.15 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.359 0.664 . . . . 0.0 112.427 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.5 148.74 35.64 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.833 176.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HD2' HD12 ' A' ' 32' ' ' LEU . 65.6 Cg_endo -73.26 43.31 0.72 Allowed 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.23 2.62 . . . . 0.0 113.979 -175.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.3 t 72.96 -54.78 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 123.659 0.784 . . . . 0.0 112.078 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.497 ' O ' HG13 ' A' ' 35' ' ' ILE . 23.6 t70 -61.02 -54.63 42.47 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.57 -176.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.516 HD23 HD12 ' A' ' 35' ' ' ILE . 97.8 mt -59.16 -32.03 69.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.152 177.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 m -63.99 -41.99 97.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.122 0.487 . . . . 0.0 110.172 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 99.3 mt -70.55 -30.53 67.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.73 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.516 HD12 HD23 ' A' ' 32' ' ' LEU . 60.7 mt -68.6 -40.51 81.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.49 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.432 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.43 -43.79 96.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 110.091 175.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' B' ' 37' ' ' LEU . 52.3 tp -66.08 -39.74 90.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.444 177.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.62 -43.45 99.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.296 -0.478 . . . . 0.0 112.448 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -60.19 -42.65 95.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.413 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.5 ttt -63.85 -48.07 78.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.596 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.29 -51.3 67.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.011 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.6 m -59.08 -45.42 90.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.862 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -60.32 -55.48 33.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.303 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.12 -40.09 92.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.736 -175.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.2 mt -69.36 -30.2 68.16 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -177.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.1 p -93.88 4.71 53.52 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.9 -177.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.0 p -126.85 -47.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.7 m -83.99 -45.01 13.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.734 0.302 . . . . 0.0 111.689 -171.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.7 m -101.88 164.77 15.18 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.346 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.47 127.66 26.32 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.222 1.948 . . . . 0.0 111.635 175.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.581 ' HB3' HD21 ' B' ' 73' ' ' LEU . 25.0 mp0 -60.37 -37.36 80.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.977 -176.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.7 t -75.37 -14.13 60.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.133 0.492 . . . . 0.0 111.058 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.462 ' HG3' HD23 ' A' ' 57' ' ' LEU . 6.0 tp-100 -102.33 -27.17 12.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.872 -175.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.1 p -61.96 -29.81 70.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.552 -175.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.76 -43.94 90.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.967 0.413 . . . . 0.0 110.722 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.25 -44.6 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.61 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.462 HD23 ' HG3' ' A' ' 53' ' ' GLN . 4.4 mm? -63.7 -46.96 83.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.336 -179.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.73 97.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 110.975 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -64.58 -45.06 88.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.329 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.33 97.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.897 178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.515 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 44.4 t80 -60.91 -45.42 94.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.146 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.573 ' O ' HG12 ' A' ' 66' ' ' ILE . 25.4 m -64.29 -46.78 82.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -62.14 -33.77 75.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.311 . . . . 0.0 110.986 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -67.29 -35.52 79.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 69' ' ' VAL . 87.2 mt -67.32 -36.83 82.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.056 174.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 62' ' ' SER . 39.2 mm -58.23 -44.71 88.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.219 0.533 . . . . 0.0 109.683 175.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -62.96 -37.36 86.8 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.618 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.05 -40.66 91.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.605 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 65' ' ' LEU . 94.4 t -59.22 -46.21 92.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.515 176.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 66' ' ' ILE . 63.6 mttm -54.85 -46.13 74.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.095 0.474 . . . . 0.0 109.733 176.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.0 m -67.44 -26.83 66.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.272 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.532 ' HG3' HG21 ' B' ' 46' ' ' THR . 13.7 mmt180 -73.86 -41.48 62.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.791 0.329 . . . . 0.0 110.603 176.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.3 mp -68.66 -40.17 80.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 70' ' ' LYS . 44.9 mm-40 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.344 0.592 . . . . 0.0 110.157 176.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.509 ' HB2' ' HB3' ' B' ' 11' ' ' GLN . 16.2 m . . . . . 0 N--CA 1.439 -1.022 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.37 -26.06 51.58 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.53 -37.99 55.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.936 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.509 ' HB3' ' HB2' ' B' ' 8' ' ' SER . 34.3 tt0 -73.08 -43.87 61.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.992 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.61 ' O ' HG23 ' B' ' 16' ' ' VAL . 51.8 tp -61.69 -51.76 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.714 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 27.0 p -57.23 -40.98 78.63 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.956 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.67 -39.53 77.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.686 0.279 . . . . 0.0 111.341 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.52 -53.53 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.212 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.2 t -70.28 -33.04 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 111.208 -174.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -69.12 -43.37 74.58 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.756 ' O ' HG23 ' B' ' 22' ' ' VAL . 27.0 t70 -65.73 -42.17 91.34 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.459 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 10.5 tpt -47.57 -50.57 23.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.247 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.435 HG13 ' O ' ' B' ' 16' ' ' VAL . 70.7 mt -63.41 -43.63 98.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -62.56 -38.61 90.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.708 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.756 HG23 ' O ' ' B' ' 18' ' ' ASP . 61.5 t -60.79 -43.39 95.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.375 176.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 19' ' ' MET . 91.5 mt -69.31 -25.54 64.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.285 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -78.63 -32.0 47.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.697 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 99.1 mttt -64.17 -40.18 95.58 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.19 0.519 . . . . 0.0 110.441 175.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -85.0 -20.46 30.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.627 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 tptp 60.03 80.08 0.22 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.778 -176.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.13 120.71 60.75 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.913 177.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.04 33.62 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.178 2.585 . . . . 0.0 113.801 -172.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 71.8 t 70.1 -53.32 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 123.574 0.749 . . . . 0.0 111.929 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -55.12 -65.96 0.49 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.171 0.588 . . . . 0.0 111.235 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.439 HD13 HD12 ' B' ' 35' ' ' ILE . 4.0 mm? -60.8 -26.72 67.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.371 176.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -68.24 -41.23 81.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.776 0.322 . . . . 0.0 110.16 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.615 HD23 HD21 ' B' ' 37' ' ' LEU . 93.8 mt -64.41 -37.97 89.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.439 HD12 HD13 ' B' ' 32' ' ' LEU . 55.7 mt -66.46 -39.22 83.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.516 176.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.37 -49.03 75.46 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.997 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.615 HD21 HD23 ' B' ' 34' ' ' LEU . 4.6 pp -69.46 -25.42 64.08 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.627 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.2 -47.49 71.87 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.448 173.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -60.66 -41.98 96.1 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.048 0.451 . . . . 0.0 110.013 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 54.0 tpp -60.19 -52.16 66.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.915 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.88 -46.55 74.79 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.125 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 24.6 m -56.07 -54.63 42.74 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.878 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.45 -49.28 77.89 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.232 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 63.4 mt -60.1 -43.04 95.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.918 0.39 . . . . 0.0 111.292 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.561 ' HB3' ' SG ' ' B' ' 54' ' ' CYS . 89.7 mt -72.74 -14.36 61.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.866 -178.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.532 HG21 ' HG3' ' A' ' 72' ' ' ARG . 19.8 p -110.61 -0.16 17.35 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.096 -0.641 . . . . 0.0 112.689 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 77.5 p -125.61 -28.81 3.24 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 21.6 m -107.78 -43.25 4.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -171.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.877 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 23.5 m -90.68 174.28 4.73 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.877 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 19.9 Cg_endo -60.9 101.6 0.18 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.0 1.8 . . . . 0.0 111.565 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.422 ' CD ' ' H ' ' B' ' 51' ' ' GLN . 0.0 OUTLIER -64.07 -30.68 71.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.08 -177.158 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 12.3 t -75.08 -11.76 60.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -123.33 10.43 9.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.191 0.52 . . . . 0.0 109.92 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' CYS . . . . . 0.561 ' SG ' ' HB3' ' B' ' 45' ' ' LEU . 40.1 t -57.82 -40.2 79.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.274 -173.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -55.79 -46.64 77.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.023 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.26 -46.38 83.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.274 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.9 -47.98 78.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.295 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.71 83.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.12 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -68.47 -32.64 72.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.005 0.431 . . . . 0.0 110.617 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.01 -46.54 51.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.631 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -59.26 -45.33 91.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.603 ' O ' HG12 ' B' ' 66' ' ' ILE . 6.8 p -62.96 -56.85 13.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.751 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -58.74 -41.4 86.36 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 68.6 m -66.16 -34.66 78.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.997 0.427 . . . . 0.0 110.518 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.422 ' O ' HG23 ' B' ' 69' ' ' VAL . 41.5 tp -64.79 -38.7 91.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.331 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.603 HG12 ' O ' ' B' ' 62' ' ' SER . 28.3 mm -59.61 -41.77 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.191 0.52 . . . . 0.0 109.926 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -65.64 -36.77 84.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.287 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.5 99.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.666 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 65' ' ' LEU . 98.3 t -57.15 -47.82 83.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.433 175.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -61.6 -33.4 73.84 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.128 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 22.4 m -74.2 -15.04 61.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.395 0.617 . . . . 0.0 110.761 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -87.64 -26.61 22.94 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 176.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 51' ' ' GLN . 4.6 mm? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.022 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.568 ' HB2' ' HG2' ' A' ' 11' ' ' GLN . 74.2 m . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -66.89 -21.5 66.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.55 82.43 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.655 174.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.568 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 27.7 mm-40 -61.5 -49.31 77.26 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.092 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.707 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.4 tp -57.16 -60.94 2.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.796 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -54.34 -41.67 69.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.886 -175.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.76 98.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 11' ' ' GLN . 69.1 mt -68.27 -46.57 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.239 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.2 t -63.04 -39.66 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -64.79 -38.58 91.47 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.105 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.684 ' O ' HG23 ' A' ' 22' ' ' VAL . 38.1 t70 -63.76 -50.59 68.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -43.95 64.47 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.344 0.402 . . . . 0.0 111.415 178.238 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 16' ' ' VAL . 80.7 mt -62.99 -47.01 94.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.689 0.281 . . . . 0.0 110.81 178.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.93 99.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.978 0.418 . . . . 0.0 111.033 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 18' ' ' ASP . 45.4 t -66.18 -37.98 80.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.289 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 33' ' ' SER . 63.5 tp -63.18 -48.3 78.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.21 176.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.92 -35.54 78.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.314 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -61.45 -29.55 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.854 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -89.49 -18.41 26.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.142 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.683 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER 62.58 32.2 16.54 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.665 178.173 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.16 120.91 82.97 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.85 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.88 175.84 3.44 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.767 2.311 . . . . 0.0 112.008 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.78 -20.58 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-O 121.076 0.465 . . . . 0.0 111.135 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.638 ' O ' HG12 ' A' ' 35' ' ' ILE . 2.4 m-20 -68.74 -73.51 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.137 0.494 . . . . 0.0 110.112 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.0 -36.67 70.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.598 -174.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.453 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 20.4 p -63.04 -44.08 96.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.689 0.281 . . . . 0.0 110.95 -177.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.92 -28.87 64.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.056 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 31' ' ' ASP . 24.1 mm -65.15 -48.08 85.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.475 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -60.46 -45.65 92.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.713 177.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 33' ' ' SER . 90.1 mt -63.79 -35.16 79.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.86 -42.08 99.75 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.089 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -66.99 -41.98 85.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.096 0.474 . . . . 0.0 110.024 177.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.5 ttt -64.45 -46.47 82.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.243 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.46 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.67 -51.21 70.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.467 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 p -65.23 -41.13 94.69 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 120.911 0.386 . . . . 0.0 111.167 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -60.44 -42.56 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.296 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.99 -44.75 75.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 94.4 mt -62.58 -18.62 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 111.595 -177.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.44 ' CG2' HG13 ' B' ' 69' ' ' VAL . 8.9 p -103.98 9.25 36.68 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.071 177.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.8 m -134.77 -47.4 0.74 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -175.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.5 p -91.74 -29.33 16.87 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -169.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.6 m -105.99 152.52 40.33 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.06 123.39 13.73 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.4 2.067 . . . . 0.0 111.705 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -60.0 -21.96 61.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.631 -176.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.6 m -76.45 -26.6 55.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.078 0.466 . . . . 0.0 110.949 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -114.62 7.58 16.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.136 0.493 . . . . 0.0 110.384 -174.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.4 p -58.23 -40.93 82.98 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.394 -175.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' A' ' 59' ' ' GLN . 43.8 tt0 -61.84 -34.96 76.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.667 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.0 69.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.634 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.97 -50.21 74.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.177 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.09 -30.77 70.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.108 0.48 . . . . 0.0 111.24 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.553 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 5.9 tt0 -76.44 -31.26 57.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.44 -178.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.7 -40.56 55.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.52 176.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -57.83 -46.42 84.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.526 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.697 ' O ' HG12 ' A' ' 66' ' ' ILE . 4.1 p -65.97 -45.11 82.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.069 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -55.0 -39.42 69.04 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.695 0.283 . . . . 0.0 111.496 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.0 m -60.88 -44.13 97.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.31 0.576 . . . . 0.0 110.028 176.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . 96.4 mt -65.1 -39.23 92.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.012 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.697 HG12 ' O ' ' A' ' 62' ' ' SER . 28.4 mm -61.61 -37.75 78.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 120.914 0.388 . . . . 0.0 110.426 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.0 -36.36 84.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.519 176.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.24 85.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.191 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' LEU . 51.5 t -63.39 -38.07 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.294 176.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.89 -42.11 79.28 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.6 176.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.2 m -66.06 -32.68 74.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.816 0.341 . . . . 0.0 110.738 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.772 ' NH1' ' HA ' ' B' ' 46' ' ' THR . 24.6 mmm-85 -59.36 -53.65 55.8 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.428 0.633 . . . . 0.0 110.168 173.086 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.0 mt -67.31 -50.28 60.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.374 -176.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 . . . . . 0 C--N 1.319 -0.729 0 CA-C-O 121.476 0.655 . . . . 0.0 111.832 -175.429 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.403 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 31.4 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.17 -25.94 68.05 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 172.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.47 -31.63 37.28 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.399 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.403 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 49.4 tt0 -70.36 -45.73 65.51 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 109.123 176.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.668 ' O ' HG23 ' B' ' 16' ' ' VAL . 61.5 tp -62.13 -53.6 53.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.858 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 74.5 p -55.9 -38.32 70.06 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.669 0.271 . . . . 0.0 110.845 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.66 -48.72 76.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.371 176.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 67.3 mt -66.56 -48.08 81.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.547 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 12' ' ' LEU . 3.3 t -63.46 -45.49 97.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -69.23 -25.53 64.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.944 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.723 ' O ' HG23 ' B' ' 22' ' ' VAL . 18.7 t0 -70.46 -45.68 65.29 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 177.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 64.6 mtt -57.43 -38.29 74.14 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.005 176.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 16' ' ' VAL . 68.7 mt -61.81 -39.95 85.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.181 176.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.28 75.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.452 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.723 HG23 ' O ' ' B' ' 18' ' ' ASP . 27.6 t -57.21 -49.18 80.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.28 0.562 . . . . 0.0 109.776 175.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.44 -43.45 98.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.751 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -69.41 -26.23 64.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.958 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -64.07 -36.04 82.71 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.155 0.502 . . . . 0.0 110.258 176.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -85.56 -32.76 21.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.221 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.4 tttp 56.62 67.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.829 -168.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -79.57 128.98 73.09 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.021 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.547 ' HD2' ' HB2' ' B' ' 32' ' ' LEU . 31.2 Cg_exo -58.99 160.16 19.34 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.731 2.287 . . . . 0.0 111.711 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 32.7 t -56.71 -31.45 35.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.99 0.424 . . . . 0.0 111.014 -176.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.502 ' O ' HG13 ' B' ' 35' ' ' ILE . 0.5 OUTLIER -76.11 -61.31 1.98 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.333 177.743 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.547 ' HB2' ' HD2' ' B' ' 29' ' ' PRO . 53.4 mt -56.31 -38.84 71.81 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.2 p -62.85 -44.4 96.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.759 0.314 . . . . 0.0 111.416 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.7 -34.21 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.921 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 31' ' ' ASP . 56.2 mt -69.63 -37.2 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.778 0.323 . . . . 0.0 110.405 178.367 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.429 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -62.36 -46.37 88.97 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 120.855 0.36 . . . . 0.0 110.046 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.17 -42.74 95.61 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.87 -52.56 52.53 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.605 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -58.0 -41.75 83.73 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 111.16 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 45.4 ttp -66.33 -47.58 73.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.74 -46.3 88.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.3 t -59.12 -43.81 91.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.754 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -59.56 -38.77 81.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.81 -44.54 55.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.8 0.333 . . . . 0.0 110.936 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.554 ' HB3' ' SG ' ' B' ' 54' ' ' CYS . 96.6 mt -63.49 -27.77 69.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.446 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.772 ' HA ' ' NH1' ' A' ' 72' ' ' ARG . 33.8 p -94.62 0.76 55.4 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.865 -174.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 22.7 p -122.8 -47.36 2.07 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 11.6 m -100.86 -5.17 26.51 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -170.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.433 HG21 HD23 ' B' ' 45' ' ' LEU . 39.0 t -113.9 128.4 25.8 Favored Pre-proline 0 C--N 1.326 -0.446 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.956 -177.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.66 152.31 13.07 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.363 2.709 . . . . 0.0 112.629 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -52.6 -64.31 0.86 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.436 -173.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 9.7 t -76.35 -22.37 54.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.766 0.317 . . . . 0.0 111.233 -172.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 8.6 tt0 -74.75 -35.65 62.61 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' B' ' 45' ' ' LEU . 34.7 t -56.87 -44.85 82.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.621 -176.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -64.75 -45.32 86.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 111.032 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.04 -30.07 58.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.468 -174.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 10.3 tp -72.15 -41.48 67.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.558 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.08 96.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.545 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -66.05 -34.46 78.12 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.05 -44.11 63.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.79 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -61.83 -43.5 98.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.751 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.646 ' O ' HG12 ' B' ' 66' ' ' ILE . 29.4 p -63.6 -53.57 49.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -60.43 -32.8 71.71 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -64.1 -44.04 93.5 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 80.4 mt -67.93 -33.37 74.54 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.646 HG12 ' O ' ' B' ' 62' ' ' SER . 50.9 mm -55.53 -50.19 68.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.011 0.434 . . . . 0.0 110.221 176.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -75.93 -27.21 57.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.742 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.11 -49.44 72.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.44 HG13 ' CG2' ' A' ' 46' ' ' THR . 76.9 t -62.06 -41.98 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.155 175.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' B' ' 70' ' ' LYS . 38.1 ttmt -55.25 -54.0 48.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.193 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.7 m -75.64 -13.81 60.34 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.382 0.611 . . . . 0.0 110.991 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' B' ' 72' ' ' ARG . 23.4 ttt85 -84.11 -28.98 27.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.069 176.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 56.3 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.192 176.621 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.444 -0.769 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -73.05 -12.26 60.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.14 0.495 . . . . 0.0 110.66 -175.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.26 -38.24 31.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 15' ' ' ILE . 20.9 tp60 -62.63 -37.26 85.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.61 172.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.584 ' O ' HG23 ' A' ' 16' ' ' VAL . 41.1 tp -54.85 -52.76 61.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.283 174.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.2 m -55.23 -37.83 67.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.238 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.97 -33.78 76.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 11' ' ' GLN . 71.8 mt -72.34 -45.77 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.979 0.419 . . . . 0.0 110.249 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.7 t -68.17 -36.31 74.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.939 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -60.75 -43.43 97.97 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.161 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.744 ' O ' HG23 ' A' ' 22' ' ' VAL . 31.5 t0 -66.13 -46.37 77.74 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 43.3 ttm -51.22 -44.79 61.72 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.368 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 16' ' ' VAL . 78.3 mt -63.24 -41.98 94.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.758 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.23 -41.38 90.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 18' ' ' ASP . 29.0 t -60.86 -45.98 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.05 177.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 28' ' ' ALA . 56.3 tp -60.34 -47.16 87.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.044 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -66.31 -26.19 67.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.692 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -70.14 -42.75 72.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.388 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -92.78 -2.51 55.9 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 60.46 89.42 0.07 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.261 0.553 . . . . 0.0 112.365 175.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.444 ' HB2' HD13 ' B' ' 15' ' ' ILE . . . -127.99 111.31 20.15 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.017 173.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' HD12 ' A' ' 32' ' ' LEU . 19.2 Cg_endo -60.86 168.06 7.74 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.757 2.304 . . . . 0.0 111.965 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -54.2 -27.64 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 121.02 0.438 . . . . 0.0 111.933 -175.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.536 ' O ' HG13 ' A' ' 35' ' ' ILE . 31.2 t70 -75.03 -61.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.451 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 29' ' ' PRO . 69.5 mt -59.59 -39.54 84.49 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 p -64.58 -40.16 95.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 110.574 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tt -64.76 -35.76 82.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.679 177.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 31' ' ' ASP . 65.6 mt -66.29 -40.62 87.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.711 177.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.528 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -59.99 -50.49 73.54 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 110.514 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.81 -42.69 94.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.741 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.12 -51.59 56.53 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.768 177.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -58.21 -45.45 87.62 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.883 0.373 . . . . 0.0 110.997 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.9 ttt -62.73 -48.02 81.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.842 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.75 84.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.32 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -59.06 -52.89 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.401 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -60.46 -38.05 82.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.162 0.506 . . . . 0.0 111.131 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.49 -52.32 33.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.468 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.63 -27.07 68.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.867 0.365 . . . . 0.0 111.466 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.2 p -92.13 14.18 16.83 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.964 0.411 . . . . 0.0 111.34 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.1 m -136.01 -51.27 0.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.861 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.3 p -81.13 -68.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -170.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.69 143.54 75.67 Favored Pre-proline 0 C--O 1.235 0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.407 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.12 115.54 1.77 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.453 2.769 . . . . 0.0 112.296 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.424 ' HA ' ' HB2' ' A' ' 54' ' ' CYS . 29.2 pt20 -56.7 -34.49 67.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.747 -175.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.7 m -59.54 -33.91 71.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.527 -176.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -122.95 21.43 9.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.872 0.368 . . . . 0.0 110.455 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 51' ' ' GLN . 52.8 t -59.58 -49.09 79.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.627 -175.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -62.39 -31.44 72.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.938 0.399 . . . . 0.0 111.327 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.24 -41.63 66.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.404 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.1 mt -67.87 -36.81 80.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.596 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.25 97.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.716 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -65.97 -35.3 80.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.97 95.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -67.98 -47.01 69.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.65 ' O ' HG12 ' A' ' 66' ' ' ILE . 67.7 p -61.78 -52.8 62.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.049 -177.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.38 -36.9 76.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.691 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.3 m -62.58 -39.22 93.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.278 177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 69' ' ' VAL . 90.9 mt -67.2 -42.62 83.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.323 176.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.65 HG12 ' O ' ' A' ' 62' ' ' SER . 28.2 mm -57.99 -45.83 87.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.239 0.543 . . . . 0.0 110.581 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -79.01 -21.85 46.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.041 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.594 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -67.14 -42.26 84.69 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 174.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 65' ' ' LEU . 95.7 t -59.9 -45.23 95.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.003 175.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HZ2' HG22 ' A' ' 66' ' ' ILE . 63.1 mttp -56.33 -39.2 72.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.906 176.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.1 m -71.14 -23.16 62.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 22.1 mmt180 -80.06 -24.65 40.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.138 0.494 . . . . 0.0 109.939 176.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.4 mt -89.21 -41.02 12.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.611 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.231 -176.622 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.469 ' HB2' ' HB2' ' B' ' 11' ' ' GLN . 1.2 m . . . . . 0 N--CA 1.434 -1.255 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -59.76 -18.71 45.3 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 174.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.88 38.49 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.862 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.469 ' HB2' ' HB2' ' B' ' 8' ' ' SER . 14.1 mm100 -68.85 -41.42 78.47 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.394 177.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.726 ' O ' HG23 ' B' ' 16' ' ' VAL . 42.8 tp -60.13 -57.74 11.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.187 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 48.0 m -53.01 -40.95 64.21 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.375 0.422 . . . . 0.0 111.31 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.77 -43.61 98.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.204 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.633 ' HA ' ' OD2' ' B' ' 18' ' ' ASP . 64.1 mt -74.83 -36.92 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.633 -176.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.726 HG23 ' O ' ' B' ' 12' ' ' LEU . 3.2 t -65.46 -33.48 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -72.66 -26.6 61.69 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.946 176.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.633 ' OD2' ' HA ' ' B' ' 15' ' ' ILE . 43.6 m-20 -58.38 -58.35 8.91 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.65 -47.75 63.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.337 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.41 -50.3 73.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.457 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.673 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -67.01 -43.44 82.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -174.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 18' ' ' ASP . 94.2 t -63.6 -43.46 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.747 0.308 . . . . 0.0 110.833 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.72 -30.12 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.807 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -66.01 -38.79 89.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.44 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 39.4 mmtm -63.33 -41.03 98.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.293 -177.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -82.2 -24.33 34.98 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.513 ' HB2' ' NZ ' ' B' ' 27' ' ' LYS . 2.2 ttmp? 58.36 79.53 0.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.85 174.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' B' ' 32' ' ' LEU . . . -90.34 138.97 26.81 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.002 175.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.67 51.48 2.67 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.186 2.591 . . . . 0.0 113.767 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 81.7 t 73.49 -50.72 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 123.083 0.553 . . . . 0.0 112.094 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.556 ' O ' HG13 ' B' ' 35' ' ' ILE . 23.3 m-20 -51.48 -66.07 0.45 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.081 0.467 . . . . 0.0 110.957 -178.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.481 ' HB2' ' HB1' ' B' ' 28' ' ' ALA . 95.4 mt -62.04 -34.71 76.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.144 -177.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -60.62 -45.67 93.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.289 0.566 . . . . 0.0 110.365 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.03 -40.7 71.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.706 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.556 HG13 ' O ' ' B' ' 31' ' ' ASP . 52.5 mt -67.81 -33.95 64.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.906 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.434 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -60.45 -45.99 91.68 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.985 0.421 . . . . 0.0 109.959 174.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.74 -37.22 85.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.497 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.96 -46.29 94.88 Favored Glycine 0 C--N 1.33 0.212 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.316 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -59.09 -42.41 90.38 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.602 0.239 . . . . 0.0 110.634 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 85.8 mmm -62.22 -51.18 68.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.18 -46.52 79.34 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.107 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.2 t -61.82 -54.74 38.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.552 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -57.4 -43.48 83.77 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.385 -175.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 mt -64.89 -43.82 91.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.023 0.44 . . . . 0.0 111.772 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.514 ' HA ' HG22 ' B' ' 49' ' ' VAL . 98.1 mt -80.18 -9.42 59.72 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.701 -175.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.528 HG21 ' HG3' ' A' ' 72' ' ' ARG . 30.0 p -112.73 3.33 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.72 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 10.7 m -140.53 -34.76 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -176.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.7 m -93.85 -50.07 5.53 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.71 -172.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' B' ' 45' ' ' LEU . 34.7 m -89.79 158.94 44.3 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 121.234 -0.186 . . . . 0.0 110.933 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -53.8 128.07 28.1 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.683 2.255 . . . . 0.0 111.925 176.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.423 ' HA ' ' SG ' ' B' ' 54' ' ' CYS . 77.8 mt-30 -74.95 2.15 11.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.997 -173.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 10.8 m -96.08 -32.7 12.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.26 0.553 . . . . 0.0 110.511 174.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -100.47 -9.37 22.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.153 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' B' ' 51' ' ' GLN . 19.6 p -61.53 -48.43 81.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.452 -174.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.504 ' HG3' HG23 ' A' ' 66' ' ' ILE . 39.7 tt0 -61.82 -36.2 80.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.689 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.24 -53.23 39.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.127 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.81 -37.97 89.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.25 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.93 92.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.871 0.367 . . . . 0.0 111.146 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.475 ' NE2' ' HG2' ' B' ' 55' ' ' GLU . 47.6 mt-30 -69.36 -48.23 61.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.615 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.83 85.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.773 0.32 . . . . 0.0 111.573 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -65.11 -49.27 70.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.56 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.598 ' O ' HG12 ' B' ' 66' ' ' ILE . 16.2 p -66.22 -38.7 88.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.141 -178.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -59.21 -43.13 92.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.808 -0.178 . . . . 0.0 111.275 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 95.4 p -64.16 -33.4 75.7 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.624 -0.431 . . . . 0.0 109.936 178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.445 ' O ' HG23 ' B' ' 69' ' ' VAL . 93.7 mt -68.44 -37.72 80.51 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.552 176.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.598 HG12 ' O ' ' B' ' 62' ' ' SER . 39.9 mm -56.92 -48.52 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 121.288 0.566 . . . . 0.0 109.787 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -64.48 -39.39 93.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.575 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' B' ' 72' ' ' ARG . . . -61.91 -47.73 83.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 178.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 65' ' ' LEU . 70.4 t -57.44 -46.88 85.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.832 0.349 . . . . 0.0 110.644 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.18 -34.77 74.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 25.4 m -79.4 -19.85 49.04 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.204 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' B' ' 68' ' ' ALA . 12.3 mmm-85 -81.47 -43.84 18.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.616 179.68 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.573 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 47.5 t . . . . . 0 N--CA 1.441 -0.911 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -69.92 -15.64 63.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.14 -45.13 18.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.746 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 14.4 mm100 -72.73 -32.73 65.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.44 176.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.669 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -59.02 -61.25 2.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.591 177.524 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.0 p -56.67 -37.92 71.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.468 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 18' ' ' ASP . . . -57.48 -40.93 79.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.806 0.336 . . . . 0.0 111.021 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.6 mt -74.65 -40.78 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.317 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.4 t -63.32 -45.03 99.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.9 0.381 . . . . 0.0 110.257 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -71.69 -23.46 61.66 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.685 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.758 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.9 t70 -65.87 -51.58 57.57 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 175.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.9 mtt -54.93 -38.51 67.76 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.165 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.94 -45.04 99.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.147 0.498 . . . . 0.0 110.385 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 25' ' ' LYS . . . -64.74 -39.08 93.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.016 177.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 18' ' ' ASP . 39.6 t -66.16 -33.74 65.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.216 177.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.59 -40.32 96.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.092 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -88.34 -12.65 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 111.088 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 35.0 tptt -73.28 -43.48 60.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.585 0.707 . . . . 0.0 109.12 176.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -85.56 -20.68 29.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 171.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.0 tttp 55.85 90.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 113.899 -1.5 . . . . 0.0 112.01 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.441 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -116.52 135.52 22.92 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.88 175.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.801 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 14.1 Cg_exo -69.19 168.49 20.66 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.668 2.245 . . . . 0.0 111.253 176.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.479 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 59.5 t -60.87 -43.05 94.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.761 0.315 . . . . 0.0 111.065 -175.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.444 ' O ' HG13 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -69.76 -51.01 37.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -178.473 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.801 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 4.1 mm? -54.74 -42.74 71.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.679 0.276 . . . . 0.0 110.861 176.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.422 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 34.2 t -61.76 -47.3 85.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.961 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 80.2 mt -62.44 -40.11 95.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.57 0.224 . . . . 0.0 111.333 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 31' ' ' ASP . 60.1 mt -69.43 -39.6 78.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.878 0.371 . . . . 0.0 110.33 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.462 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -62.42 -45.54 92.66 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.377 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 33' ' ' SER . 88.7 mt -61.49 -36.36 80.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.358 177.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.82 -51.68 57.52 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.088 176.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -61.87 -46.33 89.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.04 0.448 . . . . 0.0 110.453 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.0 ttt -61.27 -51.76 67.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.49 -176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.98 75.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.083 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 m -55.72 -48.25 75.49 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.54 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -57.1 -49.28 76.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.22 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HA ' HG22 ' A' ' 47' ' ' THR . 88.0 mt -71.05 -38.58 72.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.356 -176.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.495 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 86.0 mt -71.44 -13.66 61.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.357 -178.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.6 p -105.36 13.26 30.61 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.85 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.415 HG22 ' HA ' ' A' ' 44' ' ' LEU . 11.1 t -134.45 -44.03 0.76 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.342 -0.543 . . . . 0.0 112.412 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.9 t -81.37 -43.44 19.0 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 121.886 -0.509 . . . . 0.0 111.201 -177.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 27.5 m -102.56 149.6 36.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.146 -177.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 49' ' ' VAL . 22.1 Cg_exo -65.81 139.74 58.5 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 123.012 2.475 . . . . 0.0 111.797 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.552 ' HG2' HD11 ' B' ' 73' ' ' LEU . 21.0 mp0 -56.51 -36.46 69.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.276 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.6 t -65.94 -18.92 65.67 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.507 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -107.72 -21.33 12.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.643 0.259 . . . . 0.0 110.641 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 37.0 t -55.08 -53.81 51.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.583 -174.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.738 ' HG3' HG23 ' B' ' 66' ' ' ILE . 41.3 tt0 -58.16 -41.68 84.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.986 0.422 . . . . 0.0 110.795 -178.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.04 -53.73 41.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.111 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mp -66.28 -39.88 89.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.67 -176.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.1 88.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.838 0.352 . . . . 0.0 110.809 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -70.28 -35.58 73.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.439 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.13 89.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.076 0.465 . . . . 0.0 110.185 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.432 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 69.0 t80 -61.85 -38.2 87.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.108 176.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 66' ' ' ILE . 15.9 t -61.79 -52.43 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.75 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -56.49 -36.8 69.54 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.2 m -63.75 -42.0 97.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.254 177.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 69' ' ' VAL . 97.2 mt -65.96 -38.04 87.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.3 177.1 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.686 HG12 ' O ' ' A' ' 62' ' ' SER . 39.0 mm -59.45 -45.92 93.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.9 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -66.14 -41.16 90.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.733 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.21 92.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.641 HG11 ' HB2' ' B' ' 55' ' ' GLU . 76.1 t -60.27 -49.56 83.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 177.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -59.84 -37.09 78.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.318 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.1 m -59.39 -37.34 77.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.859 0.361 . . . . 0.0 110.816 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.2 mmm-85 -71.98 -41.8 67.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.004 0.431 . . . . 0.0 110.522 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.52 -16.01 62.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.014 175.576 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.538 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 46.8 t . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -67.29 -23.52 65.67 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 175.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.43 -45.78 44.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.163 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 15.7 mm100 -66.12 -38.36 87.98 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.646 ' O ' HG23 ' B' ' 16' ' ' VAL . 57.9 tp -56.51 -58.69 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.944 177.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 23.8 p -56.91 -39.9 75.29 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 123.17 0.294 . . . . 0.0 111.419 -175.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.17 83.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 0.0 111.168 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 79.2 mt -69.74 -50.47 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.999 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.6 t -63.65 -42.95 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.974 0.416 . . . . 0.0 110.246 -178.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -53.01 -48.68 67.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.077 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.736 ' O ' HG23 ' B' ' 22' ' ' VAL . 25.9 t0 -63.61 -52.77 59.42 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.167 -177.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 54.4 mtm -55.88 -41.12 73.97 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.204 0.315 . . . . 0.0 111.691 -176.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.8 mt -65.17 -42.44 94.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 120.763 0.315 . . . . 0.0 110.661 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.27 -40.81 86.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.923 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 18' ' ' ASP . 48.2 t -59.61 -45.11 94.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.969 177.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.478 HD11 ' OG ' ' B' ' 33' ' ' SER . 6.2 tt -60.06 -51.43 69.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.243 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.03 -42.84 99.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.195 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -75.98 -18.44 59.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 110.927 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -81.68 -11.39 59.08 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 tttp 64.87 34.18 9.43 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.995 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.45 124.51 80.21 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.497 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.08 155.02 52.68 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.24 1.96 . . . . 0.0 111.554 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.45 -22.45 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -176.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.413 ' O ' HG13 ' B' ' 35' ' ' ILE . 7.3 m-20 -62.04 -69.85 0.23 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.585 0.707 . . . . 0.0 110.449 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.99 -30.52 66.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.163 -174.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.478 ' OG ' HD11 ' B' ' 23' ' ' LEU . 32.8 t -64.72 -40.86 96.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.207 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.61 -43.76 95.96 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.493 ' CG2' HD11 ' A' ' 12' ' ' LEU . 22.7 mt -69.17 -34.39 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.468 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -61.11 -51.93 67.04 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 174.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.4 -38.37 80.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.246 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.42 -53.98 37.76 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.383 177.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -60.2 -40.16 89.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.564 0.221 . . . . 0.0 111.239 178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.492 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 27.1 ttt -67.1 -51.34 55.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.56 69.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.21 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 12.9 p -58.06 -48.05 81.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.749 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -57.7 -40.84 80.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.047 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 40' ' ' MET . 73.4 mt -67.23 -54.64 19.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.007 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mp -68.37 -8.46 40.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -175.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.3 p -106.32 10.64 31.6 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.701 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.3 m -140.37 -45.27 0.41 Allowed 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 54.3 p -85.21 -39.1 18.19 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -171.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 35.9 m -96.4 155.22 38.22 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.496 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.467 ' HG2' ' HG2' ' B' ' 53' ' ' GLN . 11.6 Cg_endo -57.71 121.82 10.68 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.496 2.131 . . . . 0.0 112.209 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.465 ' HA ' ' SG ' ' B' ' 54' ' ' CYS . 11.0 pt20 -59.32 -18.14 35.37 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.659 -178.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 25.8 m -61.56 -37.87 85.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.976 0.417 . . . . 0.0 111.055 177.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.467 ' HG2' ' HG2' ' B' ' 50' ' ' PRO . 12.7 pt20 -119.24 2.71 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.192 -173.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' B' ' 51' ' ' GLN . 27.8 p -59.1 -43.65 91.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.665 -173.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.641 ' HB2' HG11 ' A' ' 69' ' ' VAL . 36.7 tt0 -61.23 -41.19 96.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.713 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.38 93.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.641 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 mp -67.47 -37.01 82.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.302 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.21 89.99 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.216 0.531 . . . . 0.0 110.382 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.36 -49.32 76.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.932 176.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.53 -33.21 75.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.749 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.509 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 86.8 t80 -59.71 -55.05 39.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.021 0.439 . . . . 0.0 110.106 177.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.602 ' O ' HG12 ' B' ' 66' ' ' ILE . 41.7 t -67.86 -36.48 80.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.622 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -57.61 -40.89 80.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.586 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 33.8 t -68.61 -30.32 69.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.124 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.558 ' O ' HG23 ' B' ' 69' ' ' VAL . 87.3 mt -65.01 -48.19 74.83 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 175.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.738 HG23 ' HG3' ' A' ' 55' ' ' GLU . 18.0 mm -53.67 -45.59 60.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.547 0.689 . . . . 0.0 109.871 177.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -65.24 -43.77 90.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.884 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.76 92.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.214 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 65' ' ' LEU . 92.0 t -59.82 -48.92 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.824 178.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -67.75 -31.94 72.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.869 0.366 . . . . 0.0 111.041 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 41.3 m -70.19 -23.24 62.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.289 0.566 . . . . 0.0 110.259 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -79.68 -27.3 40.8 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.552 HD11 ' HG2' ' A' ' 51' ' ' GLN . 9.2 mp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.437 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.492 ' HB2' ' CG ' ' A' ' 11' ' ' GLN . 66.3 m . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.89 -28.89 66.58 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.2 -39.2 75.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.085 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.492 ' CG ' ' HB2' ' A' ' 8' ' ' SER . 67.0 mm-40 -65.32 -49.53 69.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.107 177.075 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 16' ' ' VAL . 56.8 tp -60.31 -57.11 14.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.033 -177.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.5 p -54.86 -39.44 68.63 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.01 79.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.719 0.295 . . . . 0.0 110.956 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.31 -46.55 96.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.443 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.7 t -70.91 -33.94 53.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.182 0.515 . . . . 0.0 109.811 -176.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.35 -29.45 67.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.441 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.759 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 m-20 -63.88 -46.02 86.79 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.2 mtt -56.48 -39.23 72.89 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.898 0.749 . . . . 0.0 110.761 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.7 mt -61.44 -43.65 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.71 86.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 18' ' ' ASP . 44.6 t -58.39 -42.56 84.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 121.21 0.529 . . . . 0.0 110.117 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.74 -44.01 93.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.881 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -72.47 -42.98 64.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.446 -176.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.04 -41.98 94.74 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -176.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -85.82 -11.26 53.86 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.658 -0.417 . . . . 0.0 109.961 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.945 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER 63.96 87.17 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.204 179.02 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.511 ' HB2' HD13 ' B' ' 15' ' ' ILE . . . -130.94 132.57 23.97 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.506 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.716 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 7.5 Cg_exo -71.27 166.0 30.66 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.595 2.196 . . . . 0.0 111.38 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 29.7 m -64.21 -16.72 19.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.543 ' O ' HG13 ' A' ' 35' ' ' ILE . 12.0 p-10 -90.08 -45.67 8.99 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.493 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.716 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 40.2 mt -65.51 -42.36 92.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.626 0.25 . . . . 0.0 111.291 177.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.3 p -64.86 -31.95 73.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.948 0.404 . . . . 0.0 110.516 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.55 HD12 HD12 ' A' ' 37' ' ' LEU . 13.8 tp -65.69 -36.48 83.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.938 177.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 31' ' ' ASP . 56.2 mt -69.03 -36.78 75.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.342 177.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -59.9 -41.33 91.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.83 0.347 . . . . 0.0 110.258 174.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.55 HD12 HD12 ' A' ' 34' ' ' LEU . 95.9 mt -58.73 -42.63 89.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.419 176.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.91 -43.27 94.07 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.622 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -60.8 -44.12 97.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 0.0 110.477 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.4 tpt -66.42 -47.61 72.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.661 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -52.78 -53.93 41.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.564 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 p -61.87 -44.45 96.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.832 0.349 . . . . 0.0 111.374 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -66.88 -36.71 82.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.753 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.6 -42.49 74.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.528 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 95.5 mt -65.69 -25.86 67.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.9 p -93.8 15.99 15.22 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.752 0.31 . . . . 0.0 111.342 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.7 m -132.54 -51.39 0.93 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 p -88.97 -21.38 23.57 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -169.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.5 138.71 27.72 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.378 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -49.12 145.65 14.07 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.603 2.869 . . . . 0.0 112.499 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.49 -54.17 48.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.009 -172.004 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 t -64.93 -24.13 67.43 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -174.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -94.64 -12.69 26.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.679 0.276 . . . . 0.0 111.08 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 37.4 t -59.04 -48.1 82.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.574 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.84 -35.69 75.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.254 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.08 -52.08 13.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.454 -176.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.15 -38.95 89.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.411 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.93 92.81 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.383 177.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -65.33 -50.48 65.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.02 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.13 -47.78 84.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.428 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -56.09 -49.97 72.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.425 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.516 ' O ' HG12 ' A' ' 66' ' ' ILE . 19.4 m -61.98 -47.92 82.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.201 -179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -64.1 -34.32 77.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.5 p -68.36 -28.32 67.02 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.255 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' B' ' 42' ' ' SER . 83.3 mt -72.52 -36.01 68.22 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.289 174.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.516 HG12 ' O ' ' A' ' 62' ' ' SER . 23.7 mm -61.04 -39.12 81.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -59.46 -42.95 93.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.921 175.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 72' ' ' ARG . . . -62.55 -42.09 99.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.737 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 65' ' ' LEU . 87.2 t -56.49 -51.05 69.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.243 175.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -57.59 -47.99 80.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.93 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.8 m -62.63 -42.71 99.75 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 68' ' ' ALA . 57.0 mtp180 -65.04 -44.01 90.47 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.198 -177.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 73' ' ' LEU . 3.9 mm? -77.46 -43.71 31.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.875 0.369 . . . . 0.0 110.919 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.724 -176.27 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.551 ' HB3' ' HB3' ' B' ' 11' ' ' GLN . 44.8 t . . . . . 0 N--CA 1.444 -0.773 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -67.13 -12.46 60.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.79 -49.18 9.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.038 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.551 ' HB3' ' HB3' ' B' ' 8' ' ' SER . 7.2 tp60 -59.2 -43.61 92.26 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.446 174.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 16' ' ' VAL . 60.3 tp -57.06 -57.14 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.974 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 71.2 p -56.69 -36.48 69.67 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.19 0.306 . . . . 0.0 111.533 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.04 98.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.765 0.317 . . . . 0.0 110.516 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.511 HD13 ' HB2' ' A' ' 28' ' ' ALA . 74.8 mt -67.26 -38.99 82.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.812 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.5 t -67.86 -35.13 71.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.128 0.49 . . . . 0.0 109.754 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -68.94 -31.81 70.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.607 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -58.78 -43.61 90.5 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.407 ' HE1' HD23 ' A' ' 37' ' ' LEU . 82.2 mtp -57.53 -47.02 83.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.675 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.66 -45.64 98.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.345 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -60.61 -54.61 43.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.458 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 32.3 m -64.52 -30.01 48.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.099 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.14 -44.05 85.28 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -71.78 -17.51 62.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.45 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 34.0 mmtp -84.7 -16.15 42.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 0.0 111.068 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -101.12 -32.99 10.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.159 177.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.21 80.07 0.19 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.166 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.48 138.52 19.91 Favored Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -73.28 42.92 0.68 Allowed 'Trans proline' 0 N--CA 1.477 0.504 0 C-N-CA 123.282 2.655 . . . . 0.0 113.804 -173.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t 71.61 -47.0 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.526 0.731 . . . . 0.0 111.585 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.537 ' O ' HG13 ' B' ' 35' ' ' ILE . 36.4 m-20 -51.07 -66.24 0.42 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.062 0.458 . . . . 0.0 110.86 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.8 -31.25 71.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.277 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -61.76 -45.44 93.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.171 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.78 -40.2 76.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.95 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 31' ' ' ASP . 59.3 mt -63.71 -44.39 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.013 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.88 86.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.721 0.296 . . . . 0.0 110.737 177.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.29 -40.23 95.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.421 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.06 -48.11 83.01 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.544 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.24 -46.8 87.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.626 0.251 . . . . 0.0 110.758 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.448 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 13.6 tpt -63.74 -47.91 79.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.77 -52.1 66.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.499 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.645 ' HB3' HD22 ' A' ' 65' ' ' LEU . 24.0 p -63.55 -44.57 93.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.135 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -55.42 -50.85 68.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 40' ' ' MET . 68.2 mt -63.8 -42.65 97.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.259 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.85 -13.28 61.25 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 21.1 p -112.66 10.44 19.4 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.456 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 19.0 m -136.81 -41.54 0.6 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.4 m -89.17 -35.69 16.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -171.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.571 HG23 ' HB3' ' B' ' 54' ' ' CYS . 15.6 m -109.7 160.11 29.14 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.172 -176.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.538 ' HG2' ' HB2' ' B' ' 53' ' ' GLN . 6.6 Cg_endo -49.94 128.16 21.17 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.542 2.828 . . . . 0.0 112.518 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.553 ' HG3' HG23 ' B' ' 52' ' ' THR . 24.7 pt20 -61.66 -25.19 67.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -170.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' THR . . . . . 0.553 HG23 ' HG3' ' B' ' 51' ' ' GLN . 41.0 p -100.11 -19.82 16.3 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.534 0.683 . . . . 0.0 111.219 -176.038 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.538 ' HB2' ' HG2' ' B' ' 50' ' ' PRO . 85.2 mm-40 -97.89 -10.61 24.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.538 -178.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' CYS . . . . . 0.571 ' HB3' HG23 ' B' ' 49' ' ' VAL . 29.4 p -80.08 -37.75 33.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.185 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.58 -40.45 94.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.135 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.09 83.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.843 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.37 -35.32 73.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.295 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.71 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.067 0.461 . . . . 0.0 110.582 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -71.01 -37.69 72.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.06 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.87 -34.38 73.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 110.636 176.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.87 -47.02 87.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.484 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.623 ' O ' HG12 ' B' ' 66' ' ' ILE . 0.7 OUTLIER -64.49 -44.5 90.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.56 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -51.15 -48.47 61.85 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.004 0.431 . . . . 0.0 110.282 174.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -60.26 -36.71 78.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.852 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.46 ' O ' HG23 ' B' ' 69' ' ' VAL . 88.3 mt -64.53 -46.68 81.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.746 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.623 HG12 ' O ' ' B' ' 62' ' ' SER . 6.1 mm -60.49 -42.01 89.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.427 0.632 . . . . 0.0 109.699 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -68.36 -40.22 81.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.896 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.55 92.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.98 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 65' ' ' LEU . 74.8 t -59.62 -46.97 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.774 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.04 -33.62 76.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.5 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 26.3 m -76.41 -29.3 57.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.08 0.467 . . . . 0.0 110.739 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' B' ' 72' ' ' ARG . 3.6 tpm_? -65.98 -50.97 62.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.626 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.84 178.686 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.445 -0.7 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -65.34 -20.5 66.42 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.73 -38.76 67.34 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.265 175.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.502 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.5 tp-100 -68.99 -45.05 71.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.113 176.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.651 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.9 tm? -54.64 -52.5 62.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.269 177.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.8 m -57.56 -41.85 81.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.195 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.08 -36.12 80.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.085 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 11' ' ' GLN . 80.5 mt -69.65 -50.96 45.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.2 t -65.1 -41.21 91.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.916 0.388 . . . . 0.0 110.502 -176.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -68.25 -29.78 68.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.243 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.678 ' O ' HG23 ' A' ' 22' ' ' VAL . 18.8 t0 -68.91 -49.5 57.59 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.0 mtt -50.74 -50.59 55.22 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.013 0.435 . . . . 0.0 110.787 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.13 -47.05 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.579 ' O ' ' HE2' ' A' ' 25' ' ' LYS . . . -63.27 -46.01 88.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.606 0.241 . . . . 0.0 111.418 -177.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 18' ' ' ASP . 49.1 t -62.75 -42.57 96.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.857 0.36 . . . . 0.0 110.22 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 tp -63.96 -43.42 95.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.078 0.466 . . . . 0.0 110.116 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -59.76 -37.28 78.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.135 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HE2' ' O ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -71.27 -13.64 61.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.707 -177.327 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -101.5 -31.31 10.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 171.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt 65.5 93.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.246 -174.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.473 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -102.65 139.33 20.08 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.067 177.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 17.3 Cg_exo -66.66 152.78 79.97 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.641 2.227 . . . . 0.0 111.347 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.413 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 39.2 t -57.87 -31.43 40.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 123.515 0.509 . . . . 0.0 111.342 -175.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.56 ' O ' HG13 ' A' ' 35' ' ' ILE . 35.3 t70 -74.03 -49.96 21.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.028 0.442 . . . . 0.0 110.324 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.526 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 74.2 mt -68.52 -35.65 77.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.864 -177.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.8 p -62.87 -39.83 95.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 0.0 110.613 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 84.8 mt -66.79 -36.39 82.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 31' ' ' ASP . 51.4 mt -67.8 -47.0 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.636 0.255 . . . . 0.0 110.412 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.481 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -58.15 -46.46 85.63 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.463 177.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.59 -41.25 88.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.594 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.88 -50.39 66.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.407 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -60.66 -40.21 91.21 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.895 0.379 . . . . 0.0 110.6 178.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.402 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 27.7 ttt -69.26 -48.03 62.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -178.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.92 -48.34 80.18 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 m -58.52 -47.73 83.19 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.959 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -60.47 -49.04 79.17 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.245 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 40' ' ' MET . 80.8 mt -63.74 -34.9 78.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 111.238 -178.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.469 ' HA ' HG12 ' A' ' 49' ' ' VAL . 89.5 mt -76.69 -14.12 59.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.329 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.404 ' CG2' HG13 ' B' ' 69' ' ' VAL . 5.7 p -104.04 -5.19 22.38 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.25 -0.58 . . . . 0.0 112.342 176.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.3 p -130.41 -39.1 1.33 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.2 m -92.11 -42.34 9.98 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.205 -0.31 . . . . 0.0 111.834 -169.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 45' ' ' LEU . 8.9 p -85.13 139.34 36.63 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 175.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -37.04 105.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.69 2.927 . . . . 0.0 113.532 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.544 ' HA ' ' HB2' ' A' ' 54' ' ' CYS . 27.3 pt20 -72.92 -13.2 61.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.998 -173.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.494 HG23 ' HG3' ' A' ' 53' ' ' GLN . 10.5 t -71.58 -9.72 58.66 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.439 0.638 . . . . 0.0 110.078 175.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.494 ' HG3' HG23 ' A' ' 52' ' ' THR . 97.0 mt-30 -136.23 23.34 3.24 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 51' ' ' GLN . 53.1 t -50.93 -55.43 17.24 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.009 -173.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -59.74 -45.31 92.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 111.058 -176.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.18 -49.44 74.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.157 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.8 mt -70.79 -38.62 73.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.586 -174.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.76 98.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.21 0.528 . . . . 0.0 111.037 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -76.09 -30.08 58.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.971 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.45 -48.69 74.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.269 174.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -54.78 -45.56 74.29 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.046 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.635 ' O ' HG12 ' A' ' 66' ' ' ILE . 55.9 m -57.79 -57.76 11.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.088 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -58.2 -42.94 87.24 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.2 m -70.01 -30.17 67.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.832 0.348 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.7 tp -67.93 -39.33 83.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.134 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.635 HG12 ' O ' ' A' ' 62' ' ' SER . 26.4 mm -58.59 -49.1 83.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.032 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -63.61 -35.3 80.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.768 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.5 92.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.59 177.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 88.4 t -62.5 -45.33 99.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.784 177.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 66' ' ' ILE . 30.7 mtpp -58.58 -46.06 87.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.713 178.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.1 m -66.88 -31.66 72.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.068 0.461 . . . . 0.0 111.092 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 8.8 tpm_? -58.0 -45.94 86.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.964 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 tt -89.66 -51.09 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.664 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 120.919 0.39 . . . . 0.0 111.662 -168.979 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.58 -29.51 66.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.28 -35.76 71.44 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.077 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -75.83 -41.65 51.96 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.195 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.69 ' O ' HG23 ' B' ' 16' ' ' VAL . 50.5 tp -59.29 -56.69 18.88 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.277 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 42.0 m -56.23 -36.45 68.49 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.885 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.39 -46.04 83.88 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.869 0.366 . . . . 0.0 110.847 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 71.9 mt -70.01 -48.71 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.052 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.6 t -63.45 -44.51 98.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.715 -177.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -64.56 -38.85 92.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.911 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.787 ' O ' HG23 ' B' ' 22' ' ' VAL . 30.3 t70 -65.43 -47.19 77.06 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 51.4 tpp -54.57 -42.1 70.63 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.415 0.447 . . . . 0.0 110.839 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.63 -46.11 95.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.585 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.49 90.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.787 HG23 ' O ' ' B' ' 18' ' ' ASP . 46.3 t -64.88 -41.4 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.133 0.492 . . . . 0.0 110.02 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 66.9 tp -62.63 -35.99 81.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.601 176.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -75.69 -30.86 59.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.714 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 tppp? -62.82 -48.82 77.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.906 177.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -79.07 -25.72 43.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.257 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.433 ' HE2' ' HB2' ' B' ' 27' ' ' LYS . 18.1 ttmm 57.51 81.87 0.13 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.689 -1.142 . . . . 0.0 111.647 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.23 134.53 20.28 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.08 175.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -68.77 160.74 48.36 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.19 1.927 . . . . 0.0 111.374 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 p -57.1 -26.4 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 120.834 0.35 . . . . 0.0 110.865 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.18 -68.61 0.26 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.708 0.766 . . . . 0.0 110.28 176.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.38 -32.05 69.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.353 -175.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 31.5 t -64.48 -36.07 82.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.649 0.261 . . . . 0.0 110.482 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 tp -67.84 -43.11 80.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.984 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.67 -43.57 98.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.634 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.463 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -57.11 -51.42 69.38 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.014 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.13 -37.4 85.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.598 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.63 -46.96 93.14 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.26 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -69.46 -43.98 72.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.67 0.272 . . . . 0.0 110.455 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 26.8 ttt -58.99 -47.31 85.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.948 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.23 90.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -62.75 -50.93 69.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.692 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.539 ' O ' HG22 ' B' ' 47' ' ' THR . 5.3 m-20 -55.2 -42.25 73.03 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.382 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.79 -52.83 39.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.761 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.649 HD13 ' HA ' ' B' ' 58' ' ' ALA . 96.0 mt -68.74 -5.68 21.97 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -174.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 12.5 p -103.47 -12.1 17.37 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.539 HG22 ' O ' ' B' ' 43' ' ' ASN . 11.3 t -137.95 -19.91 1.14 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -175.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 93.5 p -91.49 -3.25 56.76 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 118.475 0.58 . . . . 0.0 110.862 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.7 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 34.9 m -128.75 178.54 1.62 Allowed Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.16 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.7 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 72.4 Cg_exo -50.32 111.44 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 121.938 1.758 . . . . 0.0 111.321 171.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -64.74 -29.94 70.94 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -171.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 10.0 t -81.02 -6.9 59.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.226 0.536 . . . . 0.0 110.115 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.675 ' HB2' ' HB2' ' B' ' 50' ' ' PRO . 77.7 mt-30 -119.37 20.19 12.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.913 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 p -53.89 -46.3 71.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.864 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.24 -26.39 62.89 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.895 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.65 -42.97 63.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.866 0.365 . . . . 0.0 110.338 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.502 ' HG ' ' HB ' ' B' ' 49' ' ' VAL . 4.4 mm? -66.78 -32.5 73.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.279 176.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.649 ' HA ' HD13 ' B' ' 45' ' ' LEU . . . -62.86 -43.98 97.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.437 175.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -63.08 -40.62 98.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.454 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.11 -44.31 96.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.642 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -63.89 -41.37 97.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.878 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.669 ' O ' HG12 ' B' ' 66' ' ' ILE . 47.8 t -57.31 -56.52 20.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.727 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -55.48 -37.44 67.81 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.444 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 29.5 m -64.21 -40.92 97.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.396 177.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.73 -40.93 84.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.669 HG12 ' O ' ' B' ' 62' ' ' SER . 27.7 mm -57.63 -45.55 86.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.075 0.464 . . . . 0.0 110.057 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.539 ' HA ' ' HE2' ' B' ' 70' ' ' LYS . 34.4 m-80 -69.09 -34.8 75.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.144 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.09 -51.97 53.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.847 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.404 HG13 ' CG2' ' A' ' 46' ' ' THR . 73.9 t -58.49 -44.09 88.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.544 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' B' ' 67' ' ' ASN . 37.6 ttpt -56.43 -51.65 67.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.165 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 15.2 m -73.09 -25.97 61.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.854 0.359 . . . . 0.0 111.486 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 72' ' ' ARG . 0.7 OUTLIER -68.89 -42.78 76.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.091 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 54.2 tp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.19 -176.498 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.531 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 28.5 t . . . . . 0 N--CA 1.446 -0.658 0 CA-C-O 120.651 0.262 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -66.14 -23.82 66.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.17 -32.51 29.93 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.579 178.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.531 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 58.2 tt0 -68.36 -41.45 80.63 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.303 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.7 tp -54.1 -56.32 19.24 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.912 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.956 ' HA ' HG12 ' A' ' 16' ' ' VAL . 4.4 p -74.29 -21.31 59.8 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 120.338 -0.545 . . . . 0.0 112.176 -174.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.76 85.76 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 171.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.1 mt -70.58 -54.69 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.428 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.956 HG12 ' HA ' ' A' ' 13' ' ' SER . 7.8 p -70.48 -31.94 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.477 -0.489 . . . . 0.0 112.136 -174.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.516 ' HB3' ' O ' ' A' ' 13' ' ' SER . 7.5 t30 -75.53 -29.79 59.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.135 -0.353 . . . . 0.0 110.319 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.765 ' O ' HG23 ' A' ' 22' ' ' VAL . 37.5 t70 -71.98 -39.52 69.23 Favored 'General case' 0 C--O 1.214 -0.803 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 173.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.3 ttm -54.01 -44.94 71.35 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.725 0.64 . . . . 0.0 111.06 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 16' ' ' VAL . 73.5 mt -62.51 -39.28 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.298 176.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 25' ' ' LYS . . . -65.55 -36.62 84.33 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.673 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 18' ' ' ASP . 44.4 t -63.91 -38.0 81.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.014 0.435 . . . . 0.0 110.434 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 tt -60.15 -50.08 75.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.862 176.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.52 -17.27 61.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.398 0.618 . . . . 0.0 110.756 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 23.4 tptp -77.54 -37.46 50.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.663 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -84.61 -18.24 36.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.574 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm 62.97 37.81 11.56 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.732 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.52 142.06 23.96 Favored Pre-proline 0 N--CA 1.446 -0.659 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.81 158.25 51.91 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.249 1.966 . . . . 0.0 112.018 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 12.7 p -55.35 -26.77 19.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.033 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' O ' HG13 ' A' ' 35' ' ' ILE . 4.1 m-20 -63.54 -66.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.319 0.58 . . . . 0.0 110.549 178.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.51 -38.79 87.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.288 -173.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.9 m -69.14 -27.75 65.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.981 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 4.2 tt -74.17 -35.96 64.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 31' ' ' ASP . 57.6 mt -61.08 -37.77 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.244 176.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.465 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.24 -44.42 95.26 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.137 0.494 . . . . 0.0 110.294 175.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.96 -43.15 95.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.285 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.34 -42.93 99.7 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.476 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -58.81 -44.1 90.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.853 0.359 . . . . 0.0 110.671 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.8 ttt -73.81 -39.99 63.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -177.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.59 -49.35 77.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.29 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 p -64.72 -43.37 93.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.087 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -57.17 -46.25 82.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.44 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.9 mt -71.3 -42.66 68.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.663 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.466 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 88.6 mt -72.94 -11.97 60.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.84 -174.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.516 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 16.8 p -98.37 -22.33 16.13 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.366 177.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.8 p -97.31 -49.59 4.88 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -103.58 23.89 11.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.766 0.317 . . . . 0.0 111.148 -172.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.466 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 5.9 p -76.89 116.11 54.19 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.014 0.435 . . . . 0.0 111.334 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.531 ' HD2' ' CB ' ' A' ' 54' ' ' CYS . 16.7 Cg_exo -67.85 -23.83 40.95 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.57 2.18 . . . . 0.0 111.858 176.041 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 70.83 -57.13 0.6 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.232 1.013 . . . . 0.0 112.029 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 p -42.11 -54.09 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 124.172 0.92 . . . . 0.0 112.908 -171.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -115.34 -13.39 11.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.33 0.586 . . . . 0.0 110.365 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.531 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 41.9 t -70.64 -36.2 73.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.517 -173.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.75 -41.49 95.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.169 0.509 . . . . 0.0 109.817 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.69 -52.68 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.846 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.85 -32.7 73.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.57 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.16 -49.98 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.945 0.402 . . . . 0.0 110.343 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -66.12 -33.82 76.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.13 -50.2 64.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.837 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -63.88 -38.57 91.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.116 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.595 ' O ' HG12 ' A' ' 66' ' ' ILE . 36.1 t -54.98 -57.97 9.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.212 176.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -63.4 -26.9 68.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.699 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.3 m -63.04 -42.52 99.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.77 -41.46 83.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.242 176.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.595 HG12 ' O ' ' A' ' 62' ' ' SER . 30.3 mm -57.02 -49.22 80.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.611 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -67.88 -30.45 69.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.59 -46.64 78.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.85 0.357 . . . . 0.0 110.22 176.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.79 -43.37 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.274 176.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.465 ' HG2' ' OE2' ' A' ' 74' ' ' GLU . 22.5 ttpp -52.34 -55.4 21.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.266 176.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.2 m -61.86 -32.62 72.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.136 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -68.05 -35.66 78.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 0.0 110.848 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 73' ' ' LEU . 4.1 mm? -83.25 -19.46 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.234 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.465 ' OE2' ' HG2' ' A' ' 70' ' ' LYS . 45.5 mt-10 . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 121.288 0.566 . . . . 0.0 110.688 175.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 120.807 0.337 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.01 -28.01 69.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.4 -32.27 60.7 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.684 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.54 ' O ' HG13 ' B' ' 15' ' ' ILE . 7.9 tp-100 -71.78 -44.54 63.82 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.638 178.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.643 ' O ' HG23 ' B' ' 16' ' ' VAL . 61.2 tp -55.09 -53.55 54.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.784 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -57.21 -41.96 80.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.985 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.17 85.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.888 0.375 . . . . 0.0 111.032 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.54 HG13 ' O ' ' B' ' 11' ' ' GLN . 80.9 mt -67.37 -51.31 53.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.194 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.9 t -66.01 -41.56 89.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 110.53 -176.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -63.58 -38.76 92.34 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.591 -177.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.719 ' O ' HG23 ' B' ' 22' ' ' VAL . 30.0 t70 -70.08 -45.59 66.69 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 6.5 mmm -52.23 -46.03 65.53 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.359 0.412 . . . . 0.0 111.566 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.5 -43.87 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 0.0 110.395 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -66.33 -35.41 80.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.277 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.719 HG23 ' O ' ' B' ' 18' ' ' ASP . 67.8 t -56.87 -47.06 83.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.035 0.445 . . . . 0.0 110.534 177.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 61.1 mt -77.42 -28.84 52.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.126 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.64 -36.56 81.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.074 0.464 . . . . 0.0 110.732 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 58.7 mttp -63.19 -30.94 71.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.927 -178.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -102.38 -11.35 18.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.791 0.329 . . . . 0.0 110.527 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt 62.91 96.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.277 -174.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' B' ' 33' ' ' SER . . . -90.56 109.09 31.68 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 172.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.403 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 73.5 Cg_endo -75.54 36.62 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.13 2.553 . . . . 0.0 113.656 -173.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' B' ' 29' ' ' PRO . 90.8 t 73.52 -50.9 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 123.215 0.606 . . . . 0.0 111.472 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.528 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.5 m-20 -51.91 -70.31 0.09 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.164 0.507 . . . . 0.0 110.775 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.22 -29.89 69.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.263 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.588 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 25.5 t -63.93 -54.04 40.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.403 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.08 -30.91 71.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.522 -176.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.528 HG13 ' O ' ' B' ' 31' ' ' ASP . 47.5 mt -70.51 -49.1 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.133 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.402 ' CB ' ' HB ' ' A' ' 16' ' ' VAL . . . -55.06 -50.14 69.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.633 0.254 . . . . 0.0 111.147 172.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 33' ' ' SER . 82.0 mt -59.9 -40.32 88.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.477 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.65 -46.03 86.14 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.158 177.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -52.59 -50.15 63.59 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.127 0.489 . . . . 0.0 110.123 175.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 12.9 tpt -65.02 -49.93 68.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.141 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.09 -46.66 85.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.383 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.5 m -56.88 -51.76 67.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.881 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -62.53 -40.34 96.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.732 -176.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.65 -50.69 56.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.576 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.54 -15.22 63.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.755 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.0 p -101.13 -4.76 26.7 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.914 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 27.2 m -118.22 -39.12 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.739 0.304 . . . . 0.0 111.466 -177.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -93.23 17.66 10.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.995 0.426 . . . . 0.0 110.954 -176.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.878 HG23 ' HB3' ' B' ' 54' ' ' CYS . 4.2 p -92.51 115.13 64.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -178.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' B' ' 49' ' ' VAL . 22.3 Cg_endo -64.82 -54.48 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.266 1.977 . . . . 0.0 110.742 173.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -179.75 -87.12 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.754 172.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 38.5 m -87.21 -32.69 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.93 -171.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -55.47 -45.73 76.92 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.273 0.558 . . . . 0.0 110.242 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' CYS . . . . . 0.878 ' HB3' HG23 ' B' ' 49' ' ' VAL . 47.7 t -79.8 -34.45 39.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.147 -178.173 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.08 -55.3 36.76 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.914 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.42 69.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.302 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.88 -34.78 78.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.716 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.9 -50.43 72.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.696 0.284 . . . . 0.0 110.655 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.88 -47.58 84.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.71 76.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.529 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.544 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 73.7 t80 -62.73 -43.49 98.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.799 -178.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.408 ' O ' HG12 ' B' ' 66' ' ' ILE . 25.0 t -61.32 -48.61 80.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.702 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -65.6 -33.47 75.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 6.0 t -65.28 -32.23 73.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.987 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 86.6 mt -66.88 -39.53 87.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.165 176.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.408 HG12 ' O ' ' B' ' 62' ' ' SER . 7.8 mm -62.05 -41.12 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 177.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -65.02 -39.38 93.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.675 176.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.95 98.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.432 HG23 ' O ' ' B' ' 65' ' ' LEU . 87.9 t -58.7 -47.36 89.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.074 0.464 . . . . 0.0 110.045 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -59.32 -44.07 92.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.731 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 23.6 m -69.91 -33.57 72.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.668 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -76.77 -34.04 58.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.342 -178.535 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 9.3 tt . . . . . 0 C--O 1.235 0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.116 178.914 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.785 ' HB2' ' HB2' ' A' ' 11' ' ' GLN . 21.8 m . . . . . 0 N--CA 1.441 -0.886 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.56 -30.38 60.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.283 0.563 . . . . 0.0 109.61 177.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.75 -33.66 46.34 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.258 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.785 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 0.0 OUTLIER -70.45 -47.71 59.35 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 16' ' ' VAL . 64.5 tp -57.59 -50.86 71.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.69 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.7 m -55.3 -41.36 72.24 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.349 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.31 92.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.902 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.98 -46.06 85.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.6 t -63.92 -43.27 97.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.017 0.437 . . . . 0.0 110.151 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -67.78 -22.9 65.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.062 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.771 ' O ' HG23 ' A' ' 22' ' ' VAL . 28.9 t70 -75.01 -44.12 49.84 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.22 -37.61 75.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.848 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.6 mt -66.93 -40.57 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.411 . . . . 0.0 110.134 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.59 84.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.362 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.802 HG21 HG21 ' B' ' 22' ' ' VAL . 60.1 t -58.84 -48.32 86.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.101 174.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.695 ' HG ' ' HB3' ' A' ' 28' ' ' ALA . 8.6 tt -55.69 -46.69 77.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.821 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -72.41 -37.67 68.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.954 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -63.08 -48.4 78.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.091 -179.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -89.25 10.63 21.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.669 -176.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.27 58.91 3.61 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.675 174.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.695 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . . . -97.53 113.0 62.79 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.173 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.62 163.47 37.32 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.278 1.986 . . . . 0.0 110.879 174.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.1 m -55.9 -30.85 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 120.575 0.226 . . . . 0.0 111.593 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.429 ' O ' HG13 ' A' ' 35' ' ' ILE . 3.5 m-20 -60.21 -64.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.409 0.623 . . . . 0.0 110.686 176.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.24 -32.46 66.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.191 -173.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.6 p -66.82 -36.52 82.56 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.436 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.8 -42.22 90.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.804 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 31' ' ' ASP . 55.5 mt -66.28 -38.35 81.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.611 177.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.485 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.8 -48.36 82.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.57 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.09 -39.55 92.82 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.332 177.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.86 -45.05 93.7 Favored Glycine 0 C--O 1.236 0.239 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.52 177.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -59.68 -46.34 89.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 110.403 177.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.7 tpt -70.99 -34.65 71.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.066 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.444 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.12 -57.18 13.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.777 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 p -62.42 -37.58 86.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.661 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -56.99 -52.52 64.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.852 176.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.7 -38.27 83.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.724 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 91.4 mt -64.89 -23.76 67.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.295 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.5 p -101.54 11.02 39.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.873 0.368 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.9 m -127.06 -51.21 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.0 t -92.63 -60.02 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -170.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.7 m -69.65 153.23 95.83 Favored Pre-proline 0 C--N 1.327 -0.373 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.181 -175.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.88 119.32 5.85 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.971 2.447 . . . . 0.0 111.716 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -65.22 -25.77 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.03 -173.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.0 m -77.82 -11.5 59.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.379 0.609 . . . . 0.0 110.823 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.537 ' HG2' ' HG ' ' A' ' 57' ' ' LEU . 55.1 tt0 -124.96 10.95 8.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.452 0.644 . . . . 0.0 109.431 -178.022 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 48.2 t -61.74 -61.07 2.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.821 -173.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -19.7 64.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.72 0.295 . . . . 0.0 111.475 -176.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.43 -52.31 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.959 0.409 . . . . 0.0 110.118 174.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.537 ' HG ' ' HG2' ' A' ' 53' ' ' GLN . 93.5 mt -64.99 -34.04 77.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.81 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.3 -45.98 92.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.782 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -68.36 -35.3 77.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.24 70.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.45 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 65.1 t80 -61.63 -40.98 96.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.926 178.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.614 ' O ' HG12 ' A' ' 66' ' ' ILE . 48.1 t -54.96 -59.38 4.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.924 177.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -60.71 -32.66 71.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.286 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.2 m -62.12 -43.51 98.66 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 94.1 mt -63.62 -43.92 95.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.589 177.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.614 HG12 ' O ' ' A' ' 62' ' ' SER . 18.8 mm -57.72 -45.29 86.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.136 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -69.24 -35.88 76.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.153 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.49 -50.19 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.939 0.399 . . . . 0.0 110.662 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.59 -33.29 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.957 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 19.3 tptt -60.24 -37.6 80.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.86 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.4 m -83.48 -33.37 25.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.091 0.472 . . . . 0.0 110.579 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -57.88 -52.35 65.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.58 0.705 . . . . 0.0 110.039 176.485 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.9 tp -76.21 -57.14 4.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.918 177.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 N--CA 1.467 0.377 0 O-C-N 123.805 0.691 . . . . 0.0 110.745 -171.779 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.509 ' HB3' ' HB3' ' B' ' 11' ' ' GLN . 44.9 t . . . . . 0 N--CA 1.438 -1.043 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.82 -15.78 63.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.273 0.559 . . . . 0.0 109.616 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.26 -38.91 18.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.078 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.509 ' HB3' ' HB3' ' B' ' 8' ' ' SER . 51.0 tt0 -72.59 -39.09 67.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.587 176.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.647 ' O ' HG23 ' B' ' 16' ' ' VAL . 57.7 tp -57.31 -57.52 12.26 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.572 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 8.4 p -56.73 -40.97 76.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.049 -177.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' B' ' 18' ' ' ASP . . . -60.28 -34.98 74.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.299 176.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.486 HG13 ' O ' ' B' ' 11' ' ' GLN . 98.5 mt -74.56 -48.63 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.992 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.647 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.4 t -62.28 -44.19 98.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.34 0.591 . . . . 0.0 109.657 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -64.86 -30.18 71.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.679 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' B' ' 14' ' ' ALA . 3.6 t70 -66.82 -44.81 80.19 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.483 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 66.5 mtt -60.29 -42.56 95.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.546 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 16' ' ' VAL . 69.5 mt -61.87 -48.54 88.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.077 0.465 . . . . 0.0 110.383 176.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.69 97.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.875 -177.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 22' ' ' VAL . 32.9 m -72.24 -28.94 30.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.941 -0.303 . . . . 0.0 111.177 -179.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 19' ' ' MET . 66.9 mt -71.17 -35.32 71.58 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 176.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -81.0 -21.27 40.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.956 0.408 . . . . 0.0 110.773 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -68.61 -41.3 79.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.185 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -88.68 -18.98 26.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 171.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 pttp 40.51 80.09 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.533 -1.212 . . . . 0.0 112.771 -175.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.53 156.75 35.42 Favored Pre-proline 0 N--CA 1.447 -0.583 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.703 174.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.568 ' HB2' ' OD1' ' B' ' 31' ' ' ASP . 53.0 Cg_endo -69.7 159.12 54.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.566 1.51 . . . . 0.0 111.181 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 t -59.72 -27.61 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.415 -175.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.568 ' OD1' ' HB2' ' B' ' 29' ' ' PRO . 3.5 p-10 -65.02 -60.86 2.58 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.844 -177.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.88 -43.76 94.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.739 0.304 . . . . 0.0 111.434 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -65.51 -31.63 72.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 -176.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 16.0 tp -77.46 -35.08 54.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.758 0.313 . . . . 0.0 110.231 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 31' ' ' ASP . 80.1 mt -64.73 -37.71 80.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 120.936 0.398 . . . . 0.0 110.152 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.558 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -61.51 -47.75 84.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.209 174.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.14 -40.24 89.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.982 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.2 -47.5 89.31 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.448 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -62.23 -41.39 98.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.603 0.24 . . . . 0.0 110.958 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.6 ttt -67.87 -41.02 83.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.882 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.55 -51.41 68.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.107 0.479 . . . . 0.0 110.061 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 16.3 m -58.86 -47.79 83.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.111 177.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -51.46 -48.98 62.61 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.604 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.66 -47.98 67.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.679 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.479 ' HG ' HG11 ' B' ' 49' ' ' VAL . 5.6 mp -77.12 -1.5 29.52 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -174.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.2 p -112.28 4.86 17.99 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.5 m -137.48 -42.29 0.55 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.6 t -125.6 29.66 5.93 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.009 -0.676 . . . . 0.0 112.533 -169.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.562 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 28.5 m -123.09 169.05 10.67 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 72.5 Cg_exo -51.39 109.87 0.36 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.37 2.046 . . . . 0.0 111.524 174.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -60.15 -45.07 94.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.175 -172.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 5.8 m -85.0 -6.43 59.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.133 0.492 . . . . 0.0 110.992 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.461 ' HB3' ' HB2' ' B' ' 50' ' ' PRO . 45.8 tt0 -126.06 21.22 7.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.525 0.679 . . . . 0.0 109.931 -176.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 6.1 p -63.67 -54.59 33.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.553 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.61 -34.51 71.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.95 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.5 -51.92 65.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.37 -40.27 93.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.047 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.35 69.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.288 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -68.31 -39.52 81.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.67 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.71 -53.82 50.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.994 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -61.38 -38.42 86.96 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.049 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.583 ' O ' HG12 ' B' ' 66' ' ' ILE . 39.4 t -62.24 -51.55 67.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.82 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -62.81 -40.88 98.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.966 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 64.3 p -69.96 -25.02 63.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.0 110.424 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 69' ' ' VAL . 28.6 tp -72.13 -37.16 69.51 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 177.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.583 HG12 ' O ' ' B' ' 62' ' ' SER . 14.2 mm -62.15 -42.21 94.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -63.28 -41.72 99.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.827 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' B' ' 72' ' ' ARG . . . -60.79 -47.03 88.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.93 177.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 65' ' ' LEU . 82.7 t -59.0 -43.06 88.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.892 0.377 . . . . 0.0 110.358 176.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -59.27 -43.45 92.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.57 175.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 27.5 m -66.78 -24.53 66.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.052 0.453 . . . . 0.0 111.09 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' B' ' 68' ' ' ALA . 53.9 mmt-85 -78.16 -43.13 29.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.059 0.457 . . . . 0.0 109.973 175.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 8.7 tt . . . . . 0 C--O 1.235 0.297 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.797 -177.452 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.462 ' HB2' ' CB ' ' A' ' 11' ' ' GLN . 6.3 m . . . . . 0 N--CA 1.444 -0.766 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -63.69 -23.37 67.35 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.6 -34.94 40.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 109.587 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.462 ' CB ' ' HB2' ' A' ' 8' ' ' SER . 34.7 tt0 -70.54 -38.26 74.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.044 177.178 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.668 ' O ' HG23 ' A' ' 16' ' ' VAL . 62.7 tp -58.39 -55.5 34.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.361 175.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.8 m -51.78 -42.57 62.52 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.478 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.22 91.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.02 0.438 . . . . 0.0 111.282 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.6 mt -68.91 -47.67 74.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.3 t -64.17 -41.05 91.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.968 0.413 . . . . 0.0 110.283 -178.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -64.09 -33.57 76.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.435 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.721 ' O ' HG23 ' A' ' 22' ' ' VAL . 35.0 t70 -65.94 -48.19 72.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.9 mtt -55.74 -40.41 72.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.224 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 16' ' ' VAL . 77.9 mt -58.31 -45.99 89.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.966 0.412 . . . . 0.0 110.21 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.75 -44.75 84.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.511 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 18' ' ' ASP . 42.8 t -56.3 -46.78 81.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.137 0.494 . . . . 0.0 110.66 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' A' ' 28' ' ' ALA . 21.1 tp -61.47 -39.26 90.24 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.654 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -72.89 -39.77 66.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.368 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -61.98 -46.75 87.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -176.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -80.33 -20.83 43.34 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt 62.71 84.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.341 -175.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -101.17 111.54 63.68 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.2 162.27 30.58 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.316 2.011 . . . . 0.0 111.583 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -48.71 -33.6 5.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 O-C-N 123.5 0.5 . . . . 0.0 111.036 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.519 ' O ' HG13 ' A' ' 35' ' ' ILE . 2.8 m-20 -55.8 -71.56 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.509 0.671 . . . . 0.0 110.894 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.8 mt -68.47 -30.22 69.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.416 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.4 t -61.0 -48.17 83.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.612 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.6 mt -68.17 -38.45 82.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.011 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 31' ' ' ASP . 45.8 mt -67.4 -38.59 81.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.826 0.346 . . . . 0.0 110.631 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.518 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -62.9 -44.72 95.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.306 175.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.639 ' HG ' HD11 ' B' ' 37' ' ' LEU . 8.0 tt -59.44 -44.4 92.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.979 177.002 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.32 -51.08 61.26 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.467 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -61.14 -40.19 92.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.699 0.285 . . . . 0.0 111.085 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.462 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 27.6 ttt -65.3 -51.25 61.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.0 75.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.596 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.3 p -63.83 -40.14 95.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -63.75 -36.93 85.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.725 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 40' ' ' MET . 63.7 mt -73.18 -45.3 57.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.211 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.541 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 95.0 mt -67.02 -19.39 65.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.577 -177.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -96.74 -5.03 39.61 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.127 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.1 m -106.61 -54.33 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.606 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.3 m -95.7 24.85 4.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -176.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.541 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 2.3 p -56.79 123.16 56.79 Favored Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.424 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -66.79 -84.65 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 122.719 2.28 . . . . 0.0 112.537 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -137.02 -114.09 0.17 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.2 m -101.61 -16.24 16.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.76 0.791 . . . . 0.0 110.319 -178.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -73.56 -1.7 19.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.009 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.421 ' HB3' HG23 ' A' ' 49' ' ' VAL . 7.4 p -58.36 -48.15 81.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.365 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.415 ' HB3' HG23 ' B' ' 66' ' ' ILE . 23.5 mt-10 -62.52 -47.84 82.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.952 176.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.57 -50.25 74.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.76 -175.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.6 -37.9 83.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.202 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.06 92.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.966 0.412 . . . . 0.0 110.598 178.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -66.2 -45.29 81.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.067 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.19 70.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.276 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -57.2 -51.35 69.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 66' ' ' ILE . 20.8 p -65.57 -52.36 52.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.072 -176.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -53.48 -47.21 69.99 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.597 0.359 . . . . 0.0 111.127 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.6 t -67.24 -33.99 76.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.3 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.594 HD11 ' HA ' ' B' ' 42' ' ' SER . 30.4 tp -65.88 -39.44 90.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.084 177.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.686 HG12 ' O ' ' A' ' 62' ' ' SER . 21.0 mm -62.91 -43.81 99.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 121.586 0.707 . . . . 0.0 109.524 176.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -65.02 -34.2 77.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.07 94.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.22 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.15 -44.04 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.21 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -58.83 -36.56 74.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.072 0.463 . . . . 0.0 110.851 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.0 m -75.8 -21.69 57.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.953 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.1 -47.25 37.55 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 73' ' ' LEU . 3.9 mm? -68.97 -37.48 78.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.817 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 121.68 0.752 . . . . 0.0 109.841 175.324 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 44.2 m . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -70.44 -16.26 62.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.162 0.506 . . . . 0.0 109.653 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.99 -45.99 75.92 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.524 172.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.488 ' O ' HG13 ' B' ' 15' ' ' ILE . 28.9 mm-40 -59.92 -46.42 89.43 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.927 174.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.706 ' O ' HG23 ' B' ' 16' ' ' VAL . 47.5 tp -55.26 -57.85 10.11 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.009 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 21.5 m -53.65 -42.03 67.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.109 -177.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.04 97.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.702 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 11' ' ' GLN . 85.0 mt -66.22 -47.62 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.706 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.5 t -65.74 -34.84 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.93 -43.86 82.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.264 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.526 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.7 m-20 -63.96 -35.83 81.97 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.565 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.419 ' HG2' ' O ' ' B' ' 15' ' ' ILE . 93.3 mmm -56.52 -42.95 79.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.874 0.369 . . . . 0.0 110.331 175.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 49.5 mm -74.76 -41.74 47.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.13 -47.15 81.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.774 0.321 . . . . 0.0 111.261 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 18' ' ' ASP . 64.5 t -65.55 -32.62 59.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.315 0.579 . . . . 0.0 109.849 178.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.85 -52.4 60.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.871 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -74.61 -22.64 58.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.855 -174.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 11.8 ptmm? -71.97 -22.4 61.45 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.178 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -78.67 -27.73 45.22 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 170.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 tptt 66.53 41.75 3.05 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.682 176.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.85 146.49 31.39 Favored Pre-proline 0 N--CA 1.449 -0.524 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.79 158.41 42.65 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.285 1.99 . . . . 0.0 111.432 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 10.4 p -56.6 -24.24 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.494 -177.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.479 ' O ' HG13 ' B' ' 35' ' ' ILE . 14.4 t70 -67.04 -64.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.977 -178.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.5 tp -63.16 -39.12 93.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.992 -177.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -67.19 -31.16 71.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.046 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 7.2 tt -71.33 -33.61 69.79 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 31' ' ' ASP . 52.2 mt -63.19 -39.18 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.28 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -59.58 -42.75 93.21 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.515 174.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.639 HD11 ' HG ' ' A' ' 37' ' ' LEU . 61.8 tp -63.85 -40.55 96.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.568 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.83 -44.77 97.42 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.062 178.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -60.29 -42.06 94.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.982 0.42 . . . . 0.0 110.182 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.508 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 47.7 ttm -61.12 -52.72 63.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.563 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.76 -50.03 71.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.095 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.594 ' HA ' HD11 ' A' ' 65' ' ' LEU . 24.0 m -56.77 -47.94 78.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.739 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -61.93 -39.65 92.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.08 -178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' B' ' 40' ' ' MET . 63.8 mt -65.75 -46.19 79.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.735 0.302 . . . . 0.0 111.235 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.488 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 6.2 mp -70.89 -18.19 62.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.137 0.494 . . . . 0.0 111.82 -177.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 24.4 p -102.05 1.35 36.33 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.048 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 92.4 m -126.62 -45.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.3 m -107.74 23.84 13.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.973 0.416 . . . . 0.0 111.091 -174.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.838 HG22 ' H ' ' B' ' 51' ' ' GLN . 8.2 p -77.34 121.61 84.77 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 121.186 0.517 . . . . 0.0 111.835 -175.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 1.042 ' HD2' ' HB2' ' B' ' 54' ' ' CYS . 11.9 Cg_exo -73.21 2.74 5.25 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.417 2.744 . . . . 0.0 112.456 174.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.838 ' H ' HG22 ' B' ' 49' ' ' VAL . 30.0 tt0 75.53 -57.51 0.58 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.044 0.938 . . . . 0.0 112.424 172.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 8.4 t -95.66 -35.09 11.72 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -171.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -87.52 -39.86 14.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.865 0.365 . . . . 0.0 111.108 -176.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' CYS . . . . . 1.042 ' HB2' ' HD2' ' B' ' 50' ' ' PRO . 46.1 t -59.54 -40.85 88.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.631 -175.007 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -59.28 -58.88 6.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 111.166 -177.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.85 84.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.382 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.64 -41.29 84.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.687 -175.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.53 94.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.943 0.402 . . . . 0.0 110.614 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -67.1 -40.0 86.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.437 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.1 -50.48 73.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.751 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -58.75 -46.33 87.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.375 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.704 ' O ' HG12 ' B' ' 66' ' ' ILE . 44.9 m -59.16 -53.82 54.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -60.41 -38.29 83.54 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 111.243 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 46.4 m -65.78 -36.46 83.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.185 0.517 . . . . 0.0 110.211 177.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.476 ' O ' HG23 ' B' ' 69' ' ' VAL . 14.9 tp -68.25 -40.74 81.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.309 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.704 HG12 ' O ' ' B' ' 62' ' ' SER . 29.5 mm -60.19 -49.06 85.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 -177.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -75.35 -20.94 58.72 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.703 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.56 80.51 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 65' ' ' LEU . 90.8 t -62.43 -40.48 88.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.195 174.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -54.78 -42.17 71.41 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 111.069 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 31.3 m -73.12 -41.71 63.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.895 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -29.36 65.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.956 0.408 . . . . 0.0 110.57 -178.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 42.9 tp . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.608 175.837 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.684 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 44.7 t . . . . . 0 N--CA 1.438 -1.058 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -69.44 -12.98 62.1 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.57 -36.66 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.6 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.684 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 1.0 OUTLIER -68.98 -42.4 76.59 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.624 173.188 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.1 tm? -54.47 -57.55 10.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.288 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 p -58.65 -41.3 85.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.278 -177.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.99 97.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.302 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 11' ' ' GLN . 88.9 mt -62.29 -46.59 96.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.689 0.28 . . . . 0.0 110.827 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.5 t -70.01 -41.36 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -61.62 -46.91 87.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.169 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.717 ' O ' HG23 ' A' ' 22' ' ' VAL . 10.4 t70 -66.7 -39.84 88.22 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 50.0 tpp -61.89 -34.58 76.3 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.849 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 16' ' ' VAL . 84.2 mt -58.31 -46.88 88.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.188 0.518 . . . . 0.0 109.655 173.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 25' ' ' LYS . . . -65.7 -39.57 91.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.747 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 18' ' ' ASP . 53.8 t -59.97 -44.35 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 121.238 0.542 . . . . 0.0 110.343 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.1 tp -65.27 -38.08 89.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.402 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.525 ' HG3' ' HE2' ' A' ' 27' ' ' LYS . 38.6 tt0 -67.53 -25.99 66.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.961 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 73.7 mmtt -70.38 -26.2 63.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.389 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -105.81 -32.29 8.45 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.979 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HE2' ' HG3' ' A' ' 24' ' ' GLU . 28.3 mmtp 60.42 81.01 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.975 0.797 . . . . 0.0 111.519 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.24 135.38 73.04 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.749 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.02 36.06 0.32 Allowed 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 123.073 2.515 . . . . 0.0 113.43 -176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.5 t 70.93 -55.4 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 123.751 0.82 . . . . 0.0 111.019 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.658 ' O ' HG12 ' A' ' 35' ' ' ILE . 12.4 m-20 -54.03 -64.49 0.81 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.165 -177.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.596 HD22 ' HB2' ' B' ' 12' ' ' LEU . 85.0 mt -60.43 -28.16 68.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.584 -175.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -67.94 -36.13 79.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.112 0.482 . . . . 0.0 109.851 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -79.06 -32.1 44.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.953 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.658 HG12 ' O ' ' A' ' 31' ' ' ASP . 8.1 mm -69.77 -47.56 69.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -53.49 17.46 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.952 171.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.27 -43.2 99.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.445 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.69 -50.23 69.38 Favored Glycine 0 C--O 1.236 0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.569 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.07 -40.42 90.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.94 0.4 . . . . 0.0 110.209 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 41.7 ttm -60.09 -48.69 80.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.748 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -53.25 -55.66 22.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.877 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.5 m -59.32 -48.79 80.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.123 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -63.01 -45.44 92.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.137 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.5 mt -70.93 -37.42 72.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.565 0.222 . . . . 0.0 111.523 -178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HA ' HG22 ' A' ' 49' ' ' VAL . 80.9 mt -69.18 -21.25 63.99 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.972 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.464 HG21 ' HG3' ' B' ' 72' ' ' ARG . 23.4 p -100.52 7.11 44.31 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.409 -0.516 . . . . 0.0 112.244 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.2 p -137.06 -45.87 0.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.4 m -94.89 -43.2 8.3 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -167.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 45' ' ' LEU . 13.3 m -84.87 157.07 60.76 Favored Pre-proline 0 C--N 1.323 -0.558 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.069 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.41 114.77 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.654 2.236 . . . . 0.0 111.876 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.455 ' HA ' ' HB2' ' A' ' 54' ' ' CYS . 13.6 pt20 -66.74 -20.37 65.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.231 -176.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.505 HG23 ' HG3' ' A' ' 53' ' ' GLN . 12.9 t -77.78 -5.17 49.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.163 0.506 . . . . 0.0 110.461 176.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.508 ' HB3' HD13 ' A' ' 57' ' ' LEU . 96.5 mt-30 -131.15 15.82 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.972 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 51' ' ' GLN . 48.7 t -63.17 -48.98 76.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.696 -174.322 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -71.89 -35.81 69.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.838 -179.431 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.03 -53.33 58.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.992 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 53' ' ' GLN . 10.1 mp -67.33 -37.43 83.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.56 -51.4 69.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.898 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -66.71 -41.62 87.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.35 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.18 -48.09 82.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.372 . . . . 0.0 110.597 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.25 -44.83 94.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.368 177.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.644 ' O ' HG12 ' A' ' 66' ' ' ILE . 49.3 m -59.51 -58.14 9.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.389 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -59.63 -30.46 68.72 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.985 -175.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.6 m -65.91 -41.7 91.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.793 0.33 . . . . 0.0 110.265 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.68 -43.55 79.89 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.272 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 62' ' ' SER . 28.9 mm -53.88 -47.03 64.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.87 177.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.94 -50.34 74.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.877 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.52 -47.6 83.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.756 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.4 t -67.4 -41.43 86.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.101 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 37.3 ttmt -70.08 -35.7 74.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.693 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 60.9 m -75.18 -20.85 59.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.463 . . . . 0.0 110.565 176.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -71.88 -44.41 63.81 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.6 tp -63.39 -58.14 8.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.765 176.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 71' ' ' THR . 38.7 tt0 . . . . . 0 N--CA 1.473 0.689 0 O-C-N 124.484 1.115 . . . . 0.0 113.701 170.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.712 ' HB2' ' HB3' ' B' ' 11' ' ' GLN . 20.1 m . . . . . 0 N--CA 1.44 -0.962 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -61.03 -24.36 66.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.146 0.498 . . . . 0.0 110.236 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.88 -39.0 44.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.033 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.712 ' HB3' ' HB2' ' B' ' 8' ' ' SER . 50.2 tt0 -71.14 -41.81 69.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.917 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.604 ' CD1' ' HB ' ' A' ' 35' ' ' ILE . 23.4 tp -54.01 -56.2 20.16 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.071 177.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' SER . . . . . 0.835 ' HA ' HG12 ' B' ' 16' ' ' VAL . 23.7 p -77.15 -14.7 59.75 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.97 -172.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.82 76.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.177 0.513 . . . . 0.0 109.63 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mt -67.68 -48.76 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.902 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.835 HG12 ' HA ' ' B' ' 13' ' ' SER . 9.8 p -72.49 -20.89 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.682 -178.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' B' ' 13' ' ' SER . 46.4 t-20 -61.34 -53.38 57.43 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 173.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.542 ' O ' HG23 ' B' ' 22' ' ' VAL . 4.4 m-20 -55.77 -52.78 62.76 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.621 175.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.429 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 62.2 mtt -49.02 -55.62 11.46 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.877 -177.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 68.2 mt -67.05 -43.45 88.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.732 0.301 . . . . 0.0 111.226 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.16 -34.28 77.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.613 -177.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 18' ' ' ASP . 70.7 t -68.6 -42.04 83.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' B' ' 19' ' ' MET . 96.5 mt -61.14 -40.21 92.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.089 0.471 . . . . 0.0 109.959 175.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.2 -52.6 63.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.64 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -60.38 -34.03 73.31 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 111.32 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -75.57 -17.38 60.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 60.77 37.24 18.94 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.759 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.95 127.5 83.66 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.635 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.95 162.54 25.38 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.78 2.32 . . . . 0.0 112.024 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -60.23 -21.69 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.613 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.507 ' O ' HG13 ' B' ' 35' ' ' ILE . 11.4 m-20 -65.72 -67.03 0.47 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.22 0.533 . . . . 0.0 110.947 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 12' ' ' LEU . 87.3 mt -68.59 -30.92 69.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.947 -172.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.5 p -64.13 -45.53 88.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.679 0.276 . . . . 0.0 110.803 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.05 -36.26 82.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.166 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.507 HG13 ' O ' ' B' ' 31' ' ' ASP . 60.9 mt -65.27 -43.71 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.656 0.265 . . . . 0.0 110.424 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.32 -42.01 90.41 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.883 0.373 . . . . 0.0 110.681 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.49 -39.7 94.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.332 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.56 -38.75 96.89 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.178 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -62.78 -45.98 90.12 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 20.9 mmt -62.49 -50.05 72.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.942 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.4 27.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.217 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.3 p -62.22 -44.29 96.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.373 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.71 -42.04 92.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.246 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -79.3 -37.71 37.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.912 0.387 . . . . 0.0 111.153 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -71.27 -14.21 62.15 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.399 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 10.9 p -97.13 -25.58 15.27 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.647 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.7 p -109.13 -36.83 5.95 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -172.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.7 m -89.06 -51.89 5.36 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -169.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.32 149.14 91.4 Favored Pre-proline 0 C--O 1.236 0.383 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.897 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.17 122.71 12.2 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.268 2.646 . . . . 0.0 112.646 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -62.37 -19.69 63.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.821 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' THR . . . . . 0.604 HG23 ' HG3' ' B' ' 53' ' ' GLN . 9.0 t -73.91 -15.15 61.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.687 0.279 . . . . 0.0 110.943 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.604 ' HG3' HG23 ' B' ' 52' ' ' THR . 77.0 mt-30 -133.14 22.79 4.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.34 -177.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 7.2 p -59.2 -49.44 77.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.906 -174.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' B' ' 55' ' ' GLU . 0.0 OUTLIER -73.97 -27.2 60.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.617 0.246 . . . . 0.0 111.619 -178.233 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.86 -47.93 41.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.835 0.35 . . . . 0.0 110.778 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.86 -32.36 72.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.533 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.49 ' HB1' HD13 ' A' ' 66' ' ' ILE . . . -61.9 -42.31 98.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.094 0.473 . . . . 0.0 110.419 175.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -68.9 -38.57 79.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.804 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.32 95.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.784 0.326 . . . . 0.0 110.697 177.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.523 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 51.9 t80 -59.13 -44.31 92.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.109 175.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.698 ' O ' HG12 ' B' ' 66' ' ' ILE . 34.0 t -62.63 -59.98 4.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.838 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -54.51 -41.23 69.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.218 -173.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 61.7 p -67.48 -39.04 85.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 74.5 mt -65.79 -45.62 81.76 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.751 0.31 . . . . 0.0 110.786 177.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.698 HG12 ' O ' ' B' ' 62' ' ' SER . 5.7 mm -62.49 -40.34 87.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -69.8 -34.66 74.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.635 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.9 -46.17 91.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.271 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 65' ' ' LEU . 60.3 t -59.0 -40.95 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.258 175.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -64.54 -31.4 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.136 177.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 11.5 m -84.9 -7.88 58.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.622 0.725 . . . . 0.0 110.438 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.623 ' NE ' ' HA ' ' B' ' 72' ' ' ARG . 4.6 mmp_? -93.59 -49.34 5.93 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.423 0.63 . . . . 0.0 110.24 173.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.492 176.71 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.42 ' HB2' ' HB3' ' A' ' 11' ' ' GLN . 17.4 m . . . . . 0 N--CA 1.437 -1.078 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -62.37 -14.9 44.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.429 0.633 . . . . 0.0 109.369 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.02 -41.61 35.18 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.112 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.48 ' O ' HG13 ' A' ' 15' ' ' ILE . 34.8 tt0 -71.2 -38.94 72.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.799 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 16' ' ' VAL . 55.4 tp -53.79 -61.73 2.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 177.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 p -56.77 -36.83 70.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.32 -177.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.49 92.95 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.819 0.342 . . . . 0.0 110.648 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 11' ' ' GLN . 84.7 mt -67.71 -49.47 69.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.79 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.6 t -63.97 -41.34 92.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.603 -175.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -62.35 -41.55 98.69 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.206 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.716 ' O ' HG23 ' A' ' 22' ' ' VAL . 36.1 t70 -66.3 -51.12 60.54 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.42 ' O ' HD23 ' A' ' 23' ' ' LEU . 40.5 ttp -51.47 -45.28 62.69 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.271 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 78.8 mt -60.69 -51.02 77.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.626 0.25 . . . . 0.0 110.704 177.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.84 96.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.283 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 18' ' ' ASP . 62.8 t -59.35 -46.1 92.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.702 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 19' ' ' MET . 4.1 mm? -64.8 -36.51 84.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.248 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 20' ' ' ILE . 19.0 mm-40 -64.71 -41.61 95.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.013 0.435 . . . . 0.0 110.371 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -69.05 -33.61 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.823 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -77.39 -27.75 52.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.049 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt 56.18 76.7 0.28 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.499 0.666 . . . . 0.0 110.505 -177.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.09 134.05 21.15 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.611 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -69.23 152.76 72.06 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.418 2.079 . . . . 0.0 111.707 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.15 -18.06 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.887 -176.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.472 ' O ' HG13 ' A' ' 35' ' ' ILE . 12.2 m-20 -63.66 -66.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.9 -36.81 83.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.004 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 t -58.44 -52.62 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.052 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 34' ' ' LEU . 4.3 mm? -73.35 -27.67 61.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.466 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 31' ' ' ASP . 79.1 mt -72.08 -39.45 65.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.399 176.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.36 -45.92 91.78 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.8 -36.39 82.27 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.807 176.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.39 -53.4 36.13 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.228 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.16 -39.63 87.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.803 0.335 . . . . 0.0 110.667 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.501 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 2.0 tpt -65.48 -49.89 67.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.463 178.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.3 -46.2 86.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.882 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -59.86 -48.24 82.49 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.162 0.506 . . . . 0.0 110.824 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -63.68 -38.59 91.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.669 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 40' ' ' MET . 76.0 mt -69.58 -39.16 77.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.031 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 84.7 mt -68.29 -17.3 64.24 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.226 -0.296 . . . . 0.0 111.205 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 p -105.55 9.83 33.29 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 175.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.8 m -138.16 -44.32 0.51 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.55 ' HB3' ' HB ' ' B' ' 30' ' ' VAL . 49.1 m -83.31 -13.5 54.98 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -173.245 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.495 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 19.6 m -89.65 162.86 35.02 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.495 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 10.1 Cg_endo -54.57 -74.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.798 2.332 . . . . 0.0 111.584 173.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -179.98 -80.55 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.666 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.4 m -69.42 -35.76 76.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.524 -173.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -69.96 -6.61 34.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.601 -175.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.488 ' SG ' HG11 ' B' ' 69' ' ' VAL . 48.9 t -56.33 -38.73 71.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.409 -178.126 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.98 -42.91 95.21 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.076 0.465 . . . . 0.0 110.512 -177.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.98 -45.23 64.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.046 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.87 -41.84 91.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.634 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.19 95.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.769 0.319 . . . . 0.0 110.642 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -70.11 -30.22 67.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.063 0.459 . . . . 0.0 110.369 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.56 76.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.099 174.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.07 -39.69 95.46 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.009 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.618 ' O ' HG12 ' A' ' 66' ' ' ILE . 29.2 t -54.22 -61.87 2.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.561 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -62.13 -27.07 68.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.037 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.1 t -63.0 -44.69 95.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.13 -39.23 86.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.24 176.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.618 HG12 ' O ' ' A' ' 62' ' ' SER . 34.1 mm -58.03 -51.18 73.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.848 177.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -63.61 -36.38 83.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.723 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.65 83.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.833 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.9 t -63.99 -43.02 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.567 ' HD3' ' O ' ' A' ' 66' ' ' ILE . 5.7 mptp? -62.03 -39.88 93.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.945 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.8 m -75.56 -19.89 58.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.178 0.513 . . . . 0.0 110.822 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.523 ' HG3' ' HB ' ' B' ' 46' ' ' THR . 1.4 tmt_? -73.64 -37.38 65.36 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.9 mt -81.99 -39.3 23.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.684 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.717 -177.171 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.456 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 48.2 t . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.07 -23.9 67.31 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 173.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.7 -38.55 64.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.242 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.456 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 16.6 mm-40 -70.73 -40.0 73.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.58 -56.77 17.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.437 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' SER . . . . . 0.415 ' HA ' HG23 ' B' ' 16' ' ' VAL . 11.8 p -59.18 -37.58 77.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.381 -177.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -36.81 79.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 111.313 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 63.1 mt -69.65 -43.0 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.623 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.415 HG23 ' HA ' ' B' ' 13' ' ' SER . 0.0 OUTLIER -70.53 -27.87 32.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.195 179.41 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -67.7 -32.54 73.25 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.828 175.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.741 ' O ' HG23 ' B' ' 22' ' ' VAL . 34.4 t70 -68.48 -42.39 78.74 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.453 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 26.3 mmt -52.57 -45.28 66.38 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.554 0.533 . . . . 0.0 110.791 176.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 71.8 mt -58.69 -42.57 85.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.296 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.635 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -66.47 -37.94 86.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.868 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 18' ' ' ASP . 44.8 t -58.56 -45.45 90.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.264 177.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 19' ' ' MET . 65.3 mt -64.66 -44.36 90.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.984 176.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -59.88 -27.62 66.85 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.361 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.635 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 92.0 mttt -58.06 -50.0 74.94 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.075 0.464 . . . . 0.0 110.811 178.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -97.81 -18.45 18.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.544 -175.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 tttm 57.02 58.86 3.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.76 0.791 . . . . 0.0 109.266 -177.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.42 157.12 36.76 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.115 -173.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.519 ' HD2' HD12 ' B' ' 32' ' ' LEU . 57.9 Cg_endo -71.92 172.12 15.24 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.638 2.225 . . . . 0.0 112.194 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.55 ' HB ' ' HB3' ' A' ' 48' ' ' SER . 29.7 m -60.26 -32.53 50.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -176.129 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.568 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.2 m-20 -63.52 -55.64 22.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.645 0.26 . . . . 0.0 110.852 -177.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.519 HD12 ' HD2' ' B' ' 29' ' ' PRO . 84.2 mt -61.33 -39.44 90.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.78 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 40.8 t -61.73 -38.9 89.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.536 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -73.73 -39.88 63.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.947 -176.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 31' ' ' ASP . 48.2 mt -70.12 -36.23 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.884 -178.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.55 -45.17 94.88 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 174.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.56 -39.86 95.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.538 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.88 -51.76 57.0 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.675 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -62.1 -40.01 94.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.735 0.302 . . . . 0.0 110.406 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 14.1 tpt -64.39 -47.24 79.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.839 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.81 75.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.621 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.8 m -58.19 -49.31 77.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.364 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -54.32 -50.18 67.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.135 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 58.9 mt -67.58 -40.97 84.84 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.5 mt -74.67 -10.57 59.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.523 ' HB ' ' HG3' ' A' ' 72' ' ' ARG . 25.5 p -105.78 -2.83 22.72 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.509 -0.476 . . . . 0.0 112.175 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.6 p -131.54 -41.81 1.06 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -175.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -112.39 28.67 8.57 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -167.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.45 153.89 50.36 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.56 ' HD2' HD22 ' B' ' 57' ' ' LEU . 67.1 Cg_exo -52.22 112.04 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.54 2.16 . . . . 0.0 111.277 175.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -28.46 67.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -172.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 33.5 p -83.45 -33.57 25.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.223 0.535 . . . . 0.0 111.724 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -103.93 16.27 26.71 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.352 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 17.3 p -56.59 -44.52 81.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.468 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -54.49 -46.68 73.47 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.353 0.597 . . . . 0.0 110.738 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.7 -43.99 78.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.459 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.56 HD22 ' HD2' ' B' ' 50' ' ' PRO . 9.8 mp -70.8 -37.54 73.29 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.37 -49.29 78.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 0.0 110.455 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -71.29 -31.52 67.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.007 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.52 -49.83 69.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.063 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.435 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 38.1 t80 -63.01 -46.44 87.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.823 0.344 . . . . 0.0 110.573 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.57 ' HB2' ' OG ' ' A' ' 62' ' ' SER . 8.5 p -64.9 -52.65 55.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.366 -176.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.408 ' HA ' HG12 ' B' ' 66' ' ' ILE . 88.5 m-20 -66.15 -26.17 67.31 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.616 0.246 . . . . 0.0 111.165 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 27.1 t -64.65 -40.21 95.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 91.8 mt -63.32 -42.6 99.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.291 178.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.427 HG12 ' O ' ' B' ' 62' ' ' SER . 13.5 mm -57.38 -48.43 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.413 0.625 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -68.6 -40.32 80.51 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.151 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.77 80.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.488 HG11 ' SG ' ' A' ' 54' ' ' CYS . 97.1 t -61.05 -48.83 87.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.414 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -55.64 -53.18 59.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.4 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 26.1 m -70.64 -26.26 63.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.681 -174.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -52.38 12.84 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 176.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.904 -178.082 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 120.476 0.179 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.78 -158.99 0.34 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-O 120.848 0.356 . . . . 0.0 110.76 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -72.62 108.13 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.133 0.492 . . . . 0.0 110.61 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -125.51 5.16 7.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.202 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m -78.33 105.26 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.003 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -89.13 11.7 17.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 61.55 83.45 0.15 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.583 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.6 m -112.16 143.67 42.82 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.991 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.13 -29.63 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 173.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.41 -38.97 74.7 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.043 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -72.01 -43.36 65.15 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' ' 16' ' ' VAL . 54.3 tp -59.05 -54.75 43.5 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.94 178.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.7 p -56.35 -37.52 70.13 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.405 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.72 94.21 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.829 0.347 . . . . 0.0 110.809 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.22 -50.31 69.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.7 t -65.93 -38.07 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.454 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -55.87 -47.64 76.97 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.821 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 22' ' ' VAL . 38.5 t70 -66.16 -48.22 71.48 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.583 ' SD ' ' HG3' ' B' ' 19' ' ' MET . 52.1 tpp -51.49 -46.65 63.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.079 0.466 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.8 mt -70.16 -44.1 78.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.564 ' O ' ' HG2' ' A' ' 25' ' ' LYS . . . -65.37 -35.0 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 0.0 111.433 -177.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.662 HG11 HG11 ' B' ' 22' ' ' VAL . 92.2 t -70.01 -45.3 76.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.221 177.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 33' ' ' SER . 48.8 tp -61.78 -34.61 76.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.013 176.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.51 -33.26 75.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.271 177.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 42.1 mmtm -66.54 -44.27 82.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.786 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -75.04 -30.68 61.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 tptm 60.76 75.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.929 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.26 139.9 48.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.498 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -78.5 41.05 0.98 Allowed 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.184 2.589 . . . . 0.0 113.026 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 66.7 t 72.54 -53.54 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 123.223 0.609 . . . . 0.0 111.798 178.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.519 ' O ' HG13 ' A' ' 35' ' ' ILE . 25.6 t70 -56.93 -55.76 30.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.033 -177.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.417 HD21 ' CD1' ' B' ' 7' ' ' TYR . 65.2 mt -58.96 -41.6 87.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.022 -178.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.449 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.5 p -66.93 -29.86 69.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.613 0.244 . . . . 0.0 111.501 -177.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 83.7 mt -74.89 -29.25 60.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.751 0.31 . . . . 0.0 110.335 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 31' ' ' ASP . 38.5 mt -72.88 -41.56 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.138 177.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.443 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.41 -42.04 95.16 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.132 0.491 . . . . 0.0 109.918 174.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.551 ' HG ' HD11 ' B' ' 37' ' ' LEU . 7.6 tt -61.36 -45.89 92.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.501 175.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.25 -48.4 86.14 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.392 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -54.84 -49.17 71.74 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 110.517 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.6 tpt -69.08 -41.12 77.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.282 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.83 -46.64 87.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.614 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.9 m -59.7 -46.97 87.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.146 0.498 . . . . 0.0 110.172 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -56.39 -47.65 78.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.885 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.74 -44.56 70.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.459 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.37 -10.13 58.17 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.6 p -109.37 5.87 23.87 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.456 -0.497 . . . . 0.0 111.518 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.9 m -133.43 -45.28 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -175.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -113.18 28.1 9.06 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -168.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.0 m -123.32 150.89 61.55 Favored Pre-proline 0 C--N 1.324 -0.509 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.46 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.69 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . 32.3 Cg_exo -58.73 128.96 30.03 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.515 2.144 . . . . 0.0 111.131 174.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -60.98 -43.52 98.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.007 0.432 . . . . 0.0 111.409 -171.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.441 HG23 ' HG3' ' A' ' 53' ' ' GLN . 14.7 t -90.94 -9.48 45.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.461 -174.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.69 ' HB2' ' HB2' ' A' ' 50' ' ' PRO . 50.0 mt-30 -117.96 19.34 13.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.072 0.463 . . . . 0.0 110.47 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 p -61.18 -45.99 92.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.318 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -64.61 -42.81 95.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.59 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.67 -55.51 29.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.618 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.59 -34.62 78.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.31 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.2 89.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.76 0.314 . . . . 0.0 110.714 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -39.74 80.79 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.154 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.04 91.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.57 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 21.4 t80 -58.59 -50.91 72.09 Favored 'General case' 0 N--CA 1.461 0.097 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.65 ' O ' HG12 ' A' ' 66' ' ' ILE . 23.8 t -59.82 -54.79 42.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.395 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -52.06 -44.67 64.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.369 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.2 t -63.22 -35.17 79.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.692 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 57.4 mt -75.23 -38.08 60.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.507 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.65 HG12 ' O ' ' A' ' 62' ' ' SER . 21.0 mm -61.02 -43.73 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -61.56 -40.44 94.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.414 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.99 98.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.65 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 65' ' ' LEU . 92.5 t -63.06 -42.28 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.656 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -57.84 -53.92 52.71 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.9 m -73.29 -17.41 61.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.179 0.514 . . . . 0.0 111.25 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.702 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -72.44 -56.18 5.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.116 0.484 . . . . 0.0 109.77 174.33 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.78 -49.78 69.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.491 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.69 97.83 11.03 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -128.32 10.77 6.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.458 -177.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -116.76 46.33 1.66 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -47.52 -66.46 0.4 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.876 -171.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -79.48 122.91 27.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.219 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 80.8 t60 68.4 96.82 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.855 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.7 m80 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.248 -0.882 . . . . 0.0 109.761 176.663 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.9 172.78 0.18 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 172.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -85.37 151.65 23.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.752 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -122.84 -42.89 2.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.573 ' HB3' ' HA ' ' B' ' 9' ' ' ASP . 42.1 t -130.6 132.27 45.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.884 173.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -79.96 -21.24 43.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.055 0.455 . . . . 0.0 110.181 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.417 ' CD1' HD21 ' A' ' 32' ' ' LEU . 1.2 m-85 -90.75 -68.36 0.79 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.655 -175.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.434 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 47.9 t -143.82 103.26 4.03 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.202 176.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.573 ' HA ' ' HB3' ' B' ' 5' ' ' SER . 0.7 OUTLIER -62.14 -22.97 66.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.162 177.403 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.94 -50.0 22.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.181 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.459 ' O ' HG13 ' B' ' 15' ' ' ILE . 19.3 mt-30 -60.98 -40.28 92.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.83 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.653 ' O ' HG23 ' B' ' 16' ' ' VAL . 65.1 tp -58.63 -54.46 46.79 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.962 177.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 31.0 m -55.63 -39.87 71.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.024 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.71 95.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.944 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 11' ' ' GLN . 83.5 mt -62.76 -50.29 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.7 t -63.92 -38.19 81.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.15 0.5 . . . . 0.0 110.119 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.17 -49.79 72.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.053 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.429 ' O ' HG13 ' B' ' 22' ' ' VAL . 28.0 t70 -71.6 -27.97 63.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.374 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.583 ' HG3' ' SD ' ' A' ' 19' ' ' MET . 53.4 ttp -60.05 -41.73 92.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.244 0.545 . . . . 0.0 110.197 175.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 73.7 mt -67.33 -41.4 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.851 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.86 -48.36 82.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.701 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.662 HG11 HG11 ' A' ' 22' ' ' VAL . 23.4 m -66.81 -27.89 41.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 120.679 0.275 . . . . 0.0 110.989 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 57.4 tp -65.42 -51.65 58.79 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.791 173.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.02 -28.67 70.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.821 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' B' ' 22' ' ' VAL . 36.5 ttpt -63.3 -28.92 70.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.888 176.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -101.59 -19.53 15.43 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 64.03 81.39 0.21 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.68 0.613 . . . . 0.0 111.141 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.09 135.78 26.26 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.717 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.452 ' HD2' HD12 ' B' ' 32' ' ' LEU . 42.8 Cg_endo -69.14 166.05 28.15 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.183 1.922 . . . . 0.0 111.117 174.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.63 -33.74 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.508 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.668 ' O ' HG12 ' B' ' 35' ' ' ILE . 5.8 m-20 -59.61 -67.39 0.38 Allowed 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.933 0.397 . . . . 0.0 110.61 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.452 HD12 ' HD2' ' B' ' 29' ' ' PRO . 95.5 mt -58.15 -34.68 70.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.581 -177.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.4 t -62.8 -37.58 87.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.398 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.2 mt -77.27 -34.03 55.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.692 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.668 HG12 ' O ' ' B' ' 31' ' ' ASP . 25.8 mm -64.11 -45.81 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.094 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -61.66 -42.94 99.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.542 176.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.551 HD11 ' HG ' ' A' ' 37' ' ' LEU . 42.8 tp -65.37 -39.29 92.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.548 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.31 -47.34 90.35 Favored Glycine 0 C--O 1.236 0.231 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.285 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -61.92 -42.93 99.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.961 0.41 . . . . 0.0 110.194 176.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.452 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 27.4 ttt -62.08 -51.91 66.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.143 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.73 -51.47 65.52 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.467 ' OG ' HD22 ' A' ' 65' ' ' LEU . 17.1 m -63.84 -45.55 89.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.244 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -62.57 -39.56 94.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.453 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 40' ' ' MET . 56.3 mt -67.44 -47.07 71.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.835 0.35 . . . . 0.0 111.117 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.03 -25.58 68.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.305 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 17.0 p -97.07 12.97 30.73 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.581 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 23.7 m -133.68 -50.72 0.85 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.837 0.351 . . . . 0.0 111.842 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.5 m -80.62 -35.42 34.06 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -171.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.541 HG23 ' HB3' ' B' ' 54' ' ' CYS . 4.8 m -117.63 162.12 30.38 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -174.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 10.6 Cg_endo -53.9 127.18 24.54 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 123.552 2.835 . . . . 0.0 113.194 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -54.78 -54.5 41.3 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.568 -174.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 12.7 t -69.84 -10.74 59.56 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -108.72 -35.65 6.36 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.395 -175.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' CYS . . . . . 0.541 ' HB3' HG23 ' B' ' 49' ' ' VAL . 27.2 p -63.05 -31.28 72.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.702 0.287 . . . . 0.0 110.727 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.46 -44.12 89.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.452 176.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.88 -43.73 74.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.567 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.42 -37.62 86.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.781 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.54 81.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.199 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -61.25 -48.68 80.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.072 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.64 75.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.697 0.284 . . . . 0.0 111.314 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -64.93 -41.21 95.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.457 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.617 ' O ' HG12 ' B' ' 66' ' ' ILE . 37.8 t -62.44 -49.2 76.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.293 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -61.43 -34.36 75.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.488 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 13.8 t -64.23 -40.25 95.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.057 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.78 -38.18 90.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.304 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.617 HG12 ' O ' ' B' ' 62' ' ' SER . 21.9 mm -61.5 -43.58 97.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.446 ' HA ' ' HE3' ' B' ' 70' ' ' LYS . 54.9 t30 -60.97 -38.93 87.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.436 178.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.27 -52.41 64.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.803 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.76 -46.47 96.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' B' ' 67' ' ' ASN . 25.5 ttpp -54.36 -54.01 46.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.115 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 5.4 m -81.41 -1.15 44.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.553 -174.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -80.03 -38.06 32.74 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 169.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.02 -43.88 28.15 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 172.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.43 ' HA ' ' CD2' ' B' ' 76' ' ' HIS . 12.2 mm-40 -85.05 43.48 1.01 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.683 0.754 . . . . 0.0 110.211 175.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -81.91 47.28 1.08 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.644 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' B' ' 74' ' ' GLU . 27.4 m-70 -101.6 148.86 24.72 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -177.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.14 75.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.522 0.201 . . . . 0.0 111.307 -177.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -113.82 92.52 4.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.028 0.442 . . . . 0.0 110.514 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.18 -32.17 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -176.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 72.9 t60 . . . . . 0 C--O 1.247 0.921 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.101 174.661 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.77 163.62 20.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.42 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -83.51 169.56 15.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.728 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -72.79 118.97 16.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.393 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -68.88 145.33 53.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.422 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -80.31 30.06 0.29 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 -176.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 58.06 48.54 12.95 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.227 0.537 . . . . 0.0 109.781 -171.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.5 m -62.28 125.83 25.24 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.94 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -60.92 -18.93 59.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.587 172.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.45 -38.66 29.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.951 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.68 -45.47 68.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.939 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.683 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.2 tp -60.53 -56.51 20.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.758 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.3 m -55.58 -36.38 66.81 Favored 'General case' 0 C--N 1.332 -0.172 0 O-C-N 123.269 0.356 . . . . 0.0 111.276 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.51 98.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 110.78 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -73.33 -44.51 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.234 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.8 t -64.65 -42.74 95.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.986 0.422 . . . . 0.0 110.485 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -70.62 -27.74 64.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.628 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.665 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.3 t0 -66.36 -47.93 71.84 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 177.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.9 mmt -58.55 -33.39 69.85 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.3 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 16' ' ' VAL . 71.8 mt -61.21 -44.53 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.108 0.48 . . . . 0.0 109.844 175.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.89 -33.11 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.197 177.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 18' ' ' ASP . 68.7 t -61.84 -40.26 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.298 175.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.03 -41.23 91.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.256 175.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -73.3 -17.53 61.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.94 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -76.08 -13.95 60.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.358 0.599 . . . . 0.0 110.289 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -122.69 -30.32 3.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.927 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 61.98 75.0 0.42 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.987 -178.545 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.57 139.22 20.44 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.485 ' HG2' ' OD1' ' A' ' 31' ' ' ASP . 59.0 Cg_endo -74.29 39.2 0.52 Allowed 'Trans proline' 0 CA--C 1.535 0.575 0 C-N-CA 123.232 2.621 . . . . 0.0 114.405 -172.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.6 t 75.12 -52.76 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 123.467 0.707 . . . . 0.0 112.136 175.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.492 ' O ' HG13 ' A' ' 35' ' ' ILE . 19.5 p-10 -64.78 -50.6 66.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.758 0.314 . . . . 0.0 110.268 -177.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.0 tp -64.11 -31.79 73.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.488 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -64.44 -42.34 96.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.382 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.1 mt -72.75 -23.88 60.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.42 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 31' ' ' ASP . 71.1 mt -68.61 -45.33 81.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 0.0 110.354 175.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -59.39 -47.61 84.79 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.279 0.562 . . . . 0.0 110.544 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.78 -21.29 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.679 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.43 -47.56 34.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.209 -0.52 . . . . 0.0 112.08 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.55 -34.74 76.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.107 0.479 . . . . 0.0 110.063 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.3 ttt -69.46 -48.39 60.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.885 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.91 63.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.6 p -62.2 -40.86 97.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.088 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -58.04 -49.41 76.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.735 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.651 HD13 HG13 ' B' ' 30' ' ' VAL . 68.1 mt -69.02 -42.22 76.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.284 -177.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 86.0 mt -66.12 -21.09 66.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.526 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.5 p -100.53 -4.53 28.48 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.608 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -117.64 -41.67 2.92 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -176.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 m -89.34 -62.72 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.703 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 32.8 m -74.07 164.11 63.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 C-N-CA 121.305 -0.158 . . . . 0.0 111.012 -176.144 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.703 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 14.9 Cg_endo -57.57 115.61 2.63 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.675 2.25 . . . . 0.0 112.46 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.702 ' HB3' HD11 ' B' ' 73' ' ' LEU . 25.8 mp0 -58.14 -37.43 74.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.209 -178.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.582 HG23 ' HG2' ' A' ' 53' ' ' GLN . 11.3 t -73.28 -8.12 54.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.666 -177.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.582 ' HG2' HG23 ' A' ' 52' ' ' THR . 20.3 mm-40 -124.07 9.67 8.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.348 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.555 ' SG ' HG11 ' B' ' 69' ' ' VAL . 25.5 t -63.69 -54.93 27.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.361 -171.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.691 ' HB3' HG23 ' B' ' 66' ' ' ILE . 1.6 mp0 -62.79 -34.97 78.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.004 0.43 . . . . 0.0 110.478 -177.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.96 -51.07 61.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.568 HD13 ' HB3' ' A' ' 53' ' ' GLN . 10.8 mp -72.58 -38.45 67.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.464 -177.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.97 95.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.728 0.299 . . . . 0.0 110.403 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -62.73 -43.29 99.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.263 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.74 -48.72 80.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -65.83 -41.82 91.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.813 0.339 . . . . 0.0 110.232 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.596 ' O ' HG12 ' A' ' 66' ' ' ILE . 38.8 t -57.97 -53.26 60.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.392 178.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.456 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . 96.1 m-20 -63.44 -27.97 69.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.385 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 m -63.54 -37.42 87.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.127 0.489 . . . . 0.0 110.112 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 69' ' ' VAL . 85.8 mt -74.93 -34.24 62.07 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.207 175.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.596 HG12 ' O ' ' A' ' 62' ' ' SER . 42.8 mm -59.62 -41.8 86.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.19 0.519 . . . . 0.0 109.741 174.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -65.71 -32.32 73.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.531 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.78 -39.37 84.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.069 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 65' ' ' LEU . 98.0 t -60.1 -43.78 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.998 173.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.73 -32.63 70.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.32 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 26.3 m -68.45 -27.46 66.19 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.596 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -74.37 -25.59 59.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.023 0.439 . . . . 0.0 110.499 173.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mp -81.71 -12.58 58.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.946 173.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -82.89 105.67 14.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 171.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -67.17 -39.17 86.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.221 -173.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -138.61 -77.52 0.36 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.079 172.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 46.66 67.43 0.78 Allowed 'General case' 0 CA--C 1.529 0.145 0 O-C-N 124.004 0.815 . . . . 0.0 110.244 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -67.36 94.4 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.271 -169.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -116.53 63.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.477 0.656 . . . . 0.0 110.388 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.1 t60 . . . . . 0 C--O 1.247 0.937 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.805 179.576 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.51 -84.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.666 -176.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -132.92 160.36 37.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.112 0.482 . . . . 0.0 111.395 -174.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -132.55 115.74 15.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.501 174.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -84.57 132.81 34.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.163 0.506 . . . . 0.0 111.136 -175.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' B' ' 7' ' ' TYR . 15.6 ptmt -131.08 29.7 4.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.182 175.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.479 ' HB2' ' O ' ' B' ' 6' ' ' LYS . 18.2 m-85 76.35 90.89 0.07 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.759 -170.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.481 ' HB2' ' CB ' ' B' ' 11' ' ' GLN . 18.3 m -98.66 123.26 42.75 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -65.74 -16.92 64.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.332 0.587 . . . . 0.0 109.715 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.31 -35.74 23.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.793 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.481 ' CB ' ' HB2' ' B' ' 8' ' ' SER . 64.6 tt0 -72.79 -43.45 62.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.73 177.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.632 ' O ' HG23 ' B' ' 16' ' ' VAL . 64.9 tp -58.42 -54.37 47.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.512 178.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 21.8 p -55.6 -42.74 75.29 Favored 'General case' 0 C--N 1.333 -0.152 0 O-C-N 123.304 0.377 . . . . 0.0 111.005 -177.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.14 -41.18 78.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.951 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 11' ' ' GLN . 74.0 mt -68.43 -46.83 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.134 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.632 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.6 t -63.59 -42.82 97.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 121.131 0.491 . . . . 0.0 109.771 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -69.66 -19.55 63.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.417 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.801 ' O ' HG23 ' B' ' 22' ' ' VAL . 34.4 t70 -74.14 -48.5 28.97 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 26.0 mmt -56.9 -43.25 81.16 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.724 0.64 . . . . 0.0 110.476 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.57 -41.48 90.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.27 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.587 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -63.58 -40.79 97.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.428 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.801 HG23 ' O ' ' B' ' 18' ' ' ASP . 25.2 t -58.19 -42.11 82.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.495 177.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.98 -32.19 71.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.57 -23.29 53.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.704 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 71.7 mmtt -75.02 -52.06 12.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.429 . . . . 0.0 110.386 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -89.5 -22.19 22.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.815 -175.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm 65.49 90.14 0.09 Allowed 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.836 0.71 . . . . 0.0 110.819 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.87 124.24 18.58 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.039 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.39 162.41 42.46 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.372 2.048 . . . . 0.0 111.946 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.651 HG13 HD13 ' A' ' 44' ' ' LEU . 61.8 t -51.14 -34.13 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.392 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.37 -69.01 0.16 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.263 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.421 HD23 HD12 ' B' ' 35' ' ' ILE . 68.6 mt -64.22 -34.77 78.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.763 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 46.4 t -64.81 -34.42 78.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.606 0.241 . . . . 0.0 110.657 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 19.0 tp -69.93 -39.32 76.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.087 0.47 . . . . 0.0 109.913 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.421 HD12 HD23 ' B' ' 32' ' ' LEU . 57.4 mt -62.54 -40.84 89.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.418 176.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.492 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -62.57 -41.78 99.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.714 176.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 51.6 tp -63.12 -40.09 96.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.42 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.71 98.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.321 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -62.23 -44.41 96.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.474 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 49.4 ttm -61.04 -48.3 82.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.777 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.53 -43.82 72.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.711 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 16.8 m -60.78 -49.31 77.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.461 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.29 -43.03 92.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.978 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 40' ' ' MET . 61.0 mt -69.33 -40.3 77.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.303 -177.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.492 ' HA ' HG22 ' B' ' 49' ' ' VAL . 96.4 mt -76.19 -13.48 60.18 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.652 -177.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 22.3 p -105.44 -0.35 26.09 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.567 -0.453 . . . . 0.0 112.062 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 39.2 m -141.71 -37.52 0.41 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -174.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.7 m -92.83 -30.68 15.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.061 -0.399 . . . . 0.0 111.786 -169.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' B' ' 45' ' ' LEU . 35.4 m -106.28 154.65 39.6 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.748 -0.206 . . . . 0.0 110.544 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.619 ' HB2' ' HG2' ' B' ' 53' ' ' GLN . 31.4 Cg_exo -59.44 107.89 0.41 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.498 2.132 . . . . 0.0 111.476 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.555 ' HA ' ' HB2' ' B' ' 54' ' ' CYS . 21.1 pt20 -60.0 -33.47 72.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -172.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -60.4 -30.01 69.33 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.94 0.4 . . . . 0.0 111.413 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.619 ' HG2' ' HB2' ' B' ' 50' ' ' PRO . 19.8 pt20 -122.36 18.92 10.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.057 0.456 . . . . 0.0 110.137 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' CYS . . . . . 0.555 ' HB2' ' HA ' ' B' ' 51' ' ' GLN . 49.4 t -59.69 -39.45 84.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.872 -177.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.03 -39.94 79.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.783 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.07 92.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 57' ' ' LEU . 4.2 mm? -69.17 -44.94 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.723 178.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.83 -46.0 83.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.555 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.555 ' NE2' HG13 ' A' ' 66' ' ' ILE . 73.1 mm-40 -64.12 -34.94 79.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.449 0.166 . . . . 0.0 110.856 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.57 -49.45 76.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.927 0.394 . . . . 0.0 110.496 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.407 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 30.2 t80 -64.16 -40.8 96.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.989 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.61 ' O ' HG12 ' B' ' 66' ' ' ILE . 23.0 t -59.47 -58.92 6.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.731 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -58.97 -34.66 72.06 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.874 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -67.02 -32.4 73.59 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.646 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 87.4 mt -75.54 -39.23 58.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.144 177.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.691 HG23 ' HB3' ' A' ' 55' ' ' GLU . 39.2 mm -55.99 -48.48 78.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 121.01 0.434 . . . . 0.0 110.597 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -65.12 -44.11 89.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.871 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.35 -48.69 80.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.809 0.337 . . . . 0.0 111.267 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.555 HG11 ' SG ' ' A' ' 54' ' ' CYS . 68.9 t -63.24 -46.18 96.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' B' ' 70' ' ' LYS . 23.5 ttmm -61.74 -34.55 76.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.771 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 56.4 m -71.13 -27.74 63.79 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.929 0.395 . . . . 0.0 110.88 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -75.04 -36.05 61.87 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.682 0.277 . . . . 0.0 110.395 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 51' ' ' GLN . 4.3 mm? -69.84 -39.7 76.28 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 172.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 67.54 -93.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.906 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 54.74 64.19 1.89 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 -173.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.43 ' H ' ' CD2' ' B' ' 76' ' ' HIS . 2.3 p80 -61.75 104.02 0.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.176 176.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -80.54 59.74 3.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.961 -176.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -141.88 160.85 39.36 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.301 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.22 19.65 1.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.257 0.551 . . . . 0.0 110.714 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.4 t60 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.194 -0.907 . . . . 0.0 108.774 174.268 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.8 mtt . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.756 0.312 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.4 152.85 22.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.226 -177.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -80.21 99.82 8.0 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -116.69 -18.28 10.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.232 -177.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 m -128.12 115.74 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.356 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 39.9 tptt -100.19 10.91 40.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.209 0.528 . . . . 0.0 110.329 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.837 ' HE1' ' HG2' ' B' ' 29' ' ' PRO . 18.0 m-85 60.33 72.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.378 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.559 ' HB2' ' HG2' ' A' ' 11' ' ' GLN . 15.8 m -83.99 137.3 33.68 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.69 175.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -61.46 -25.01 66.96 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 175.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.35 -37.7 60.52 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.55 177.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.559 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 15.7 mm100 -67.12 -42.11 85.06 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.554 176.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 16' ' ' VAL . 43.7 tp -57.57 -53.93 52.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.345 176.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -51.03 -47.57 61.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.48 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.61 87.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.321 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.492 ' O ' ' HG2' ' A' ' 19' ' ' MET . 73.8 mt -67.99 -45.37 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.799 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.0 t -65.92 -38.65 82.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.9 0.381 . . . . 0.0 110.018 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.26 -39.21 92.15 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.538 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.735 ' O ' HG23 ' A' ' 22' ' ' VAL . 30.9 t70 -62.81 -50.15 72.12 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 14.4 mmt -51.75 -46.01 63.91 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.432 0.458 . . . . 0.0 111.118 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 16' ' ' VAL . 76.9 mt -62.35 -44.6 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.42 -40.53 85.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.085 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 18' ' ' ASP . 59.2 t -58.13 -48.39 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.174 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.0 tp -64.39 -44.15 92.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.488 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.67 -50.95 66.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.071 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -82.56 -8.46 59.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.985 -171.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -93.0 -28.9 16.12 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 tttm 54.73 85.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.406 -1.27 . . . . 0.0 111.881 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.47 130.27 22.96 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.411 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.52 160.52 42.6 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.221 1.947 . . . . 0.0 111.223 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 52.1 t -51.4 -30.63 10.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 123.683 0.614 . . . . 0.0 111.826 -175.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.493 ' O ' HG13 ' A' ' 35' ' ' ILE . 20.2 m-20 -68.54 -55.56 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.248 0.546 . . . . 0.0 110.375 -178.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.01 -32.06 68.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.461 -173.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.405 ' O ' HD23 ' A' ' 37' ' ' LEU . 25.4 p -63.93 -41.57 97.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 110.305 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 88.8 mt -66.42 -39.17 88.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.872 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 31' ' ' ASP . 44.1 mt -70.35 -39.05 76.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.803 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.469 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -61.1 -49.73 76.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.768 0.318 . . . . 0.0 110.309 176.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 33' ' ' SER . 4.1 mm? -59.26 -42.57 91.5 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.27 175.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.94 -55.45 27.87 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.834 -0.621 . . . . 0.0 113.049 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -61.57 -42.34 98.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.844 0.355 . . . . 0.0 110.765 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.6 tpt -66.26 -44.65 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.439 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.46 86.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.607 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.7 m -60.17 -47.98 83.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.956 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -58.08 -42.86 86.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.809 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.2 mt -65.23 -50.04 67.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.89 -22.15 65.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.853 0.358 . . . . 0.0 111.256 -177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 p -101.2 13.79 34.0 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.78 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.4 m -136.55 -50.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.8 p -94.98 -39.64 10.08 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -167.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.6 m -80.6 152.35 72.51 Favored Pre-proline 0 C--N 1.325 -0.497 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.15 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.495 ' HG2' ' HB2' ' A' ' 53' ' ' GLN . 6.3 Cg_endo -48.77 127.79 17.33 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.416 2.744 . . . . 0.0 111.79 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -64.58 -30.71 71.74 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -172.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.5 m -75.63 -20.23 58.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.375 0.607 . . . . 0.0 110.523 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.499 ' HB3' HD13 ' A' ' 57' ' ' LEU . 59.0 mm-40 -112.26 13.32 20.41 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -176.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 44.0 t -55.2 -53.68 52.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.62 -173.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -82.3 -27.16 32.48 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.573 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.19 -46.96 86.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.378 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' A' ' 53' ' ' GLN . 10.2 mp -73.75 -29.54 62.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.654 177.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.64 75.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.01 0.434 . . . . 0.0 110.457 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.73 -30.62 68.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 178.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.72 73.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.503 176.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.4 ' O ' HD23 ' A' ' 65' ' ' LEU . 92.2 t80 -59.73 -40.96 89.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.084 0.469 . . . . 0.0 110.146 176.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.613 ' O ' HG12 ' A' ' 66' ' ' ILE . 49.4 m -59.67 -60.44 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.27 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -64.46 -35.19 80.13 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.5 p -66.62 -36.49 82.72 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.646 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 61' ' ' PHE . 3.6 mm? -68.54 -37.49 80.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.717 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.613 HG12 ' O ' ' A' ' 62' ' ' SER . 16.0 mm -58.98 -46.77 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -61.94 -45.43 93.7 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.879 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.91 79.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.328 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.9 t -63.82 -43.13 97.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.975 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.36 -36.67 84.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.069 0.461 . . . . 0.0 110.96 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.3 m -70.32 -32.36 70.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.971 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HD2' HG21 ' B' ' 46' ' ' THR . 89.9 mtt180 -80.54 -23.62 39.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.97 0.414 . . . . 0.0 110.604 178.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.7 tp -69.89 -40.57 75.58 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 172.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -90.97 -166.09 1.5 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.092 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 52.94 74.89 0.27 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.639 0.587 . . . . 0.0 111.152 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -92.04 125.12 36.6 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -75.92 87.72 2.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.867 -168.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -140.59 40.85 1.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.844 0.83 . . . . 0.0 108.963 172.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -99.18 157.4 16.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.685 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.336 -0.84 . . . . 0.0 109.709 177.406 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.671 ' HB1' ' HB2' ' B' ' 5' ' ' SER . . . -78.15 87.41 4.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.225 0.536 . . . . 0.0 111.283 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -101.17 -30.0 11.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -79.39 -33.92 42.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.801 174.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.671 ' HB2' ' HB1' ' B' ' 2' ' ' ALA . 13.4 m -89.17 86.63 6.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.743 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -121.21 26.8 8.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 62.86 84.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.552 0.532 . . . . 0.0 110.609 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.11 112.15 18.2 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.26 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.25 -19.95 56.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.545 176.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.46 -30.53 33.38 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.67 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -80.39 -29.8 37.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.41 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.7 ' O ' HG23 ' B' ' 16' ' ' VAL . 42.5 tp -63.79 -55.55 22.23 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 174.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 3.0 p -55.66 -38.4 69.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.352 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.69 -30.03 69.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.601 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.62 HG22 ' O ' ' B' ' 12' ' ' LEU . 6.5 tp -82.72 -34.0 11.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.542 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.7 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.4 t -74.65 -40.47 47.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -68.22 -25.8 65.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.208 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.732 ' O ' HG23 ' B' ' 22' ' ' VAL . 9.5 t70 -64.72 -52.27 58.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 174.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 65.5 mtt -56.37 -41.22 75.83 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.269 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 16' ' ' VAL . 73.3 mt -56.92 -47.59 82.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.129 0.49 . . . . 0.0 110.157 176.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -67.35 -36.92 82.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.764 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 18' ' ' ASP . 42.0 t -60.13 -42.51 90.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.204 0.526 . . . . 0.0 110.177 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.16 -46.36 89.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.632 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -65.01 -26.78 68.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.24 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 64.7 mttp -73.91 -14.69 61.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.959 0.409 . . . . 0.0 110.819 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -106.95 -30.5 8.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.408 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 15.7 ttpp 57.5 37.67 27.79 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 110.217 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.462 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -73.28 143.67 83.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.814 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.837 ' HG2' ' HE1' ' A' ' 7' ' ' TYR . 11.4 Cg_exo -68.89 154.33 71.15 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.599 2.199 . . . . 0.0 110.86 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.6 p -61.99 -29.0 45.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.683 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.605 ' O ' HG13 ' B' ' 35' ' ' ILE . 17.4 m-20 -60.4 -63.45 1.29 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.314 0.578 . . . . 0.0 109.735 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 19.3 tp -63.81 -36.42 83.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.673 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.0 t -59.37 -48.94 79.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.013 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 58.6 mt -71.11 -18.54 62.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.58 -177.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.605 HG13 ' O ' ' B' ' 31' ' ' ASP . 62.7 mt -75.69 -45.78 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.434 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -62.17 -52.92 61.87 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.619 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.85 -27.48 67.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.785 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.88 -48.39 61.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.012 176.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -64.46 -33.14 75.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.749 0.309 . . . . 0.0 110.861 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -71.69 -46.48 58.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.44 -52.3 65.16 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.2 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.2 p -61.73 -45.12 95.32 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.69 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -53.76 -54.28 40.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.764 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.72 -40.63 97.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.556 -177.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.416 ' HB3' ' SG ' ' B' ' 54' ' ' CYS . 88.4 mt -69.61 -16.65 63.43 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.714 -177.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.475 HG21 ' HD2' ' A' ' 72' ' ' ARG . 6.9 p -112.87 12.55 19.48 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.718 176.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 25.6 m -130.48 -43.72 1.13 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.392 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.5 m -86.07 -44.08 12.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.546 0.213 . . . . 0.0 111.39 -173.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.408 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 27.3 m -99.38 158.76 31.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.971 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 33.7 Cg_endo -64.69 119.1 6.05 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.667 2.244 . . . . 0.0 111.461 175.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -55.35 -38.88 69.34 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 38.6 m -62.79 -39.45 94.28 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 111.228 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -93.03 -6.12 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.341 0.591 . . . . 0.0 110.417 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' B' ' 45' ' ' LEU . 36.3 t -63.1 -30.35 71.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.52 -175.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -59.64 -49.31 78.23 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.27 -38.38 90.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.505 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -51.34 70.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.582 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.5 -35.51 80.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.375 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.92 -40.43 96.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.826 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.28 -41.91 80.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.93 0.395 . . . . 0.0 110.355 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -59.13 -52.81 64.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.761 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.646 ' O ' HG12 ' B' ' 66' ' ' ILE . 7.9 p -60.36 -52.2 66.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.93 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -55.52 -43.94 76.18 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 24.2 m -66.85 -33.66 76.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.985 0.421 . . . . 0.0 110.054 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 30.0 tp -64.76 -47.53 77.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.339 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.646 HG12 ' O ' ' B' ' 62' ' ' SER . 9.8 mm -60.52 -42.94 93.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 121.437 0.637 . . . . 0.0 109.722 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -63.81 -40.6 97.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.091 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.72 99.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.843 0.354 . . . . 0.0 110.799 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.68 -49.71 83.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.202 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -56.71 -34.79 67.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.53 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 54.3 m -70.0 -37.37 75.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.116 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -77.34 -29.94 53.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.956 0.408 . . . . 0.0 110.306 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.34 -50.79 20.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.601 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' B' ' 75' ' ' HIS . 0.6 OUTLIER 66.46 172.99 0.24 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.557 0.535 . . . . 0.0 110.599 178.06 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.443 ' H ' ' CD ' ' B' ' 74' ' ' GLU . 14.2 p80 -158.57 -20.64 0.08 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -105.21 66.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.47 6.88 21.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.461 -170.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -79.36 111.6 15.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -102.63 -169.5 1.67 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.167 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.852 -0.594 . . . . 0.0 110.3 -179.474 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.84 154.58 25.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.891 0.376 . . . . 0.0 110.843 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -64.09 168.01 5.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.28 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 5' ' ' SER . 17.7 t-160 -105.87 14.03 28.64 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 175.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 4' ' ' HIS . 69.6 m 73.29 113.61 0.06 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.072 -178.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -122.6 80.93 1.79 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 74.02 83.22 0.11 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.095 -1.412 . . . . 0.0 110.715 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.427 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 45.1 t -97.63 120.85 38.76 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.465 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -63.8 -21.51 66.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.495 0.664 . . . . 0.0 109.272 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.65 -40.79 40.6 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.01 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.538 ' O ' HG13 ' A' ' 15' ' ' ILE . 77.8 mt-30 -72.53 -27.46 62.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.15 176.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 tp -56.26 -59.01 5.56 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.723 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 m -55.54 -39.44 70.58 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 123.411 0.444 . . . . 0.0 110.914 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.13 -37.82 78.16 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.214 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 11' ' ' GLN . 92.4 mt -68.21 -51.23 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.808 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -39.1 84.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.198 -177.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -62.8 -47.28 84.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.386 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.579 ' O ' HG23 ' A' ' 22' ' ' VAL . 28.6 t70 -59.64 -51.24 70.66 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.391 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.8 ttm -53.9 -42.97 69.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 86.4 mt -70.98 -47.07 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.129 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.12 82.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 111.105 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 18' ' ' ASP . 59.1 t -61.93 -40.13 86.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.375 0.607 . . . . 0.0 110.426 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.01 -45.08 95.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.626 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.45 -35.07 77.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.446 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -66.25 -40.61 90.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.761 0.315 . . . . 0.0 110.843 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -72.78 -24.66 60.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 174.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' A' ' 27' ' ' LYS . 17.5 ttmm 70.35 83.08 0.15 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.534 175.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.449 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -120.27 122.99 28.48 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.569 173.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.634 ' HD2' ' HB3' ' A' ' 32' ' ' LEU . 12.7 Cg_exo -66.78 164.35 29.74 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.538 2.159 . . . . 0.0 111.646 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 72.4 t -55.49 -40.43 58.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 111.124 -178.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 35' ' ' ILE . 1.6 p-10 -63.17 -55.09 28.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.347 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.634 ' HB3' ' HD2' ' A' ' 29' ' ' PRO . 61.9 tp -61.09 -42.7 99.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.003 0.43 . . . . 0.0 111.078 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.8 t -63.73 -35.34 80.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 1.3 tt -65.1 -36.56 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.975 0.417 . . . . 0.0 110.045 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 31' ' ' ASP . 51.6 mt -64.77 -46.27 92.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.55 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -64.14 -50.15 69.35 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.79 178.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.408 HD11 HD11 ' B' ' 37' ' ' LEU . 32.7 tp -63.23 -39.49 94.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.719 -178.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.52 -46.63 93.38 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.866 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -61.74 -46.22 90.55 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.6 ttt -59.51 -40.67 87.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.757 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.66 84.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.194 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.7 p -67.13 -38.54 85.74 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.842 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -61.05 -43.22 99.21 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.039 0.447 . . . . 0.0 110.346 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.3 tp -56.61 -52.65 64.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.198 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.432 ' HA ' HG22 ' A' ' 49' ' ' VAL . 91.2 mt -63.04 -32.08 73.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.339 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.0 p -93.28 15.74 14.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.576 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.9 m -140.93 -46.99 0.4 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.51 ' HB3' HG11 ' B' ' 30' ' ' VAL . 34.1 m -88.85 -54.54 4.09 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -171.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 45' ' ' LEU . 34.0 m -79.31 150.28 73.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.437 -174.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.21 131.87 41.42 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.17 2.58 . . . . 0.0 112.258 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -70.17 -26.06 63.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.73 -171.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.8 m -68.62 -24.29 64.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.247 0.546 . . . . 0.0 111.558 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -130.09 26.76 5.17 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 42.7 t -60.68 -53.49 56.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.27 -175.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.33 -25.34 39.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.978 0.418 . . . . 0.0 110.118 -178.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.68 97.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.161 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.01 -33.46 63.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.131 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.08 94.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.198 0.523 . . . . 0.0 110.33 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -68.93 -35.15 76.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.006 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.52 81.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.625 176.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -57.79 -48.92 78.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.67 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.662 ' O ' HG12 ' A' ' 66' ' ' ILE . 3.0 p -63.33 -45.67 90.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.471 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -63.14 -40.84 98.74 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.07 0.462 . . . . 0.0 111.123 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 t -64.82 -35.53 81.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.279 0.561 . . . . 0.0 109.544 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.2 -38.66 91.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.372 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.662 HG12 ' O ' ' A' ' 62' ' ' SER . 40.2 mm -56.35 -43.82 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 121.291 0.567 . . . . 0.0 109.936 176.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -66.67 -38.46 86.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.074 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.22 -46.07 85.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.45 -39.35 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.642 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 35.1 ttmt -56.76 -41.29 77.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.4 m -70.74 -33.5 70.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.708 0.289 . . . . 0.0 111.206 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -68.0 -38.22 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.191 0.519 . . . . 0.0 110.456 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.9 tp -77.89 -46.96 19.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.808 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -99.91 98.52 9.29 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.085 0.469 . . . . 0.0 110.941 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -103.16 128.04 50.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.37 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -90.33 28.36 1.46 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.612 0.72 . . . . 0.0 109.377 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.401 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 82.4 t60 -91.01 75.87 6.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.856 -176.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 77' ' ' HIS . 36.1 p-80 175.86 147.54 0.09 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.579 175.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -118.5 138.25 52.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.559 -176.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 . . . . . 0 C--O 1.244 0.79 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.905 176.696 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.745 0.307 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.63 -14.63 58.66 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.214 0.531 . . . . 0.0 110.397 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -79.71 101.47 8.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.072 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -114.41 0.26 14.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.09 0.471 . . . . 0.0 110.31 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.47 ' HB2' ' OE1' ' B' ' 11' ' ' GLN . 12.6 p -90.79 168.76 11.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.514 175.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -113.53 7.17 17.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 56.77 41.64 27.85 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.968 172.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.0 p -69.5 155.74 39.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.478 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -65.47 -24.23 67.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 174.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -36.95 73.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.059 172.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.47 ' OE1' ' HB2' ' B' ' 5' ' ' SER . 49.8 tt0 -69.52 -48.12 61.52 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.979 0.418 . . . . 0.0 110.095 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.604 ' O ' HG23 ' B' ' 16' ' ' VAL . 59.8 tp -57.46 -52.47 65.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.469 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 30.8 p -58.54 -38.98 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.453 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.63 84.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.768 0.318 . . . . 0.0 110.994 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.57 -46.67 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.604 HG23 ' O ' ' B' ' 12' ' ' LEU . 0.7 OUTLIER -67.33 -36.16 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.157 0.503 . . . . 0.0 109.915 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -63.57 -32.65 74.18 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.707 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.784 ' O ' HG23 ' B' ' 22' ' ' VAL . 27.0 t0 -70.08 -40.54 74.93 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.21 -40.38 89.93 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.721 176.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 16' ' ' VAL . 73.0 mt -61.68 -42.14 93.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.262 0.554 . . . . 0.0 110.021 175.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.25 -29.35 68.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.625 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.784 HG23 ' O ' ' B' ' 18' ' ' ASP . 60.0 t -65.66 -42.67 93.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.298 0.57 . . . . 0.0 109.629 176.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.26 -43.16 99.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.66 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -73.95 -23.93 59.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -57.97 -52.48 65.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.762 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -93.66 -18.56 22.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.506 -177.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 mttm 61.76 90.03 0.07 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.726 0.641 . . . . 0.0 110.97 -173.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.09 122.99 26.81 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.388 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.12 163.4 16.93 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.56 2.173 . . . . 0.0 111.321 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.57 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 26.0 m -61.68 -17.5 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.668 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.51 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.0 m-20 -76.44 -58.87 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.998 0.427 . . . . 0.0 110.117 175.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.46 -40.6 97.57 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.536 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -64.98 -35.1 80.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.566 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 20.3 tp -67.12 -35.72 80.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.286 -178.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.51 HG13 ' O ' ' B' ' 31' ' ' ASP . 32.7 mt -65.05 -44.2 95.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.418 178.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.54 86.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.52 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.408 HD11 HD11 ' A' ' 37' ' ' LEU . 54.3 tp -60.84 -45.72 93.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.522 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.31 -44.4 98.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.005 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -59.31 -48.35 81.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.402 . . . . 0.0 110.074 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.436 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 27.9 ttt -64.68 -46.65 81.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.033 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.57 -46.55 83.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.664 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.7 m -58.3 -49.36 77.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.594 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -60.08 -43.64 95.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.714 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' B' ' 40' ' ' MET . 68.9 mt -65.08 -47.41 77.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.853 0.359 . . . . 0.0 111.322 -178.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' B' ' 58' ' ' ALA . 95.7 mt -73.67 -13.69 61.03 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.628 -175.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 31.3 p -101.56 4.0 40.59 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.249 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.4 p -128.55 -47.69 1.29 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.678 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.7 m -76.1 -45.17 35.21 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -173.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.508 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 35.0 m -99.41 156.63 35.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.561 -178.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.508 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 18.9 Cg_endo -60.9 130.33 32.46 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.737 2.291 . . . . 0.0 112.74 -177.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -12.02 58.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.194 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 11.0 t -85.17 -12.71 52.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.115 0.483 . . . . 0.0 110.573 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 8.4 tp-100 -126.52 4.33 6.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.405 0.621 . . . . 0.0 109.726 -177.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 42.4 t -60.17 -56.51 20.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.945 -172.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.52 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.9 mp0 -59.59 -42.26 92.15 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.789 0.328 . . . . 0.0 110.555 -176.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.09 -35.23 69.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.646 -175.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 6.6 tp -73.79 -45.88 48.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.448 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.426 ' HB2' HD13 ' B' ' 45' ' ' LEU . . . -61.57 -42.33 98.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.614 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.53 -42.32 82.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.842 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.28 -46.08 91.08 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.313 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -61.29 -45.13 95.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 110.28 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.485 ' O ' HG12 ' B' ' 66' ' ' ILE . 20.1 m -64.65 -39.39 93.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.895 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.596 ' HA ' HG12 ' B' ' 66' ' ' ILE . 6.0 m-20 -67.03 -29.13 68.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.684 178.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.5 m -66.64 -36.07 81.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.962 0.41 . . . . 0.0 109.895 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.428 ' O ' HG23 ' B' ' 69' ' ' VAL . 9.6 mp -73.15 -27.5 61.7 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 175.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.596 HG12 ' HA ' ' B' ' 63' ' ' ASN . 52.1 mm -57.79 -46.24 87.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -61.27 -45.98 92.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.107 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.94 87.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.589 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 65' ' ' LEU . 54.6 t -56.41 -51.31 65.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 0.0 111.072 177.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -67.92 -27.0 66.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.022 0.439 . . . . 0.0 110.879 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 97.1 m -66.47 -32.76 74.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.023 0.44 . . . . 0.0 110.39 174.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -79.63 -36.54 37.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.061 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.76 -36.15 57.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.557 -177.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -98.14 112.31 24.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.716 0.293 . . . . 0.0 110.459 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -67.49 142.18 56.68 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -107.14 149.43 27.67 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.312 -171.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -67.49 108.83 2.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -58.48 112.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.066 -173.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -151.86 135.7 16.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.77 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.273 -0.87 . . . . 0.0 109.669 176.774 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 tpt . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.781 0.324 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 4' ' ' HIS . . . -78.05 148.98 34.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.656 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -78.22 23.77 0.27 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.433 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.409 ' H ' ' C ' ' A' ' 2' ' ' ALA . 31.7 m170 65.45 91.57 0.08 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.22 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -75.71 69.78 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.269 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -90.11 1.59 56.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.704 -176.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 61.7 87.22 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.614 0.571 . . . . 0.0 110.746 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 t -77.57 108.85 11.05 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.79 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -60.1 -17.81 42.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.148 0.499 . . . . 0.0 109.697 172.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.77 -48.18 17.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.688 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.42 -40.05 74.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.395 0.616 . . . . 0.0 109.744 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.585 HD11 ' HB ' ' B' ' 35' ' ' ILE . 26.8 tp -53.69 -59.54 4.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.693 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.845 ' HA ' HG12 ' A' ' 16' ' ' VAL . 2.9 m -75.75 -23.38 55.98 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.299 -171.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -37.37 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.481 HD13 ' HB2' ' B' ' 28' ' ' ALA . 53.6 mt -66.65 -47.01 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.207 176.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.845 HG12 ' HA ' ' A' ' 13' ' ' SER . 9.3 p -72.53 -29.38 30.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.758 -178.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -70.27 -30.63 67.71 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.144 -0.347 . . . . 0.0 110.11 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.736 ' O ' HG23 ' A' ' 22' ' ' VAL . 19.5 t70 -69.16 -43.75 73.63 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.5 ttm -55.23 -38.03 67.95 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.777 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 16' ' ' VAL . 73.1 mt -64.63 -41.13 91.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.144 175.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.95 94.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.244 177.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 18' ' ' ASP . 24.4 t -56.23 -41.3 69.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.273 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.45 -49.11 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.853 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -61.72 -41.9 98.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.524 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -63.66 -36.52 84.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.418 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -90.61 -14.34 32.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.103 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 60.23 56.85 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.729 0.643 . . . . 0.0 110.612 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.59 127.29 55.11 Favored Pre-proline 0 N--CA 1.451 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.069 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.5 160.95 47.77 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.311 2.007 . . . . 0.0 111.259 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -57.86 -30.82 39.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.875 0.369 . . . . 0.0 110.221 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.557 ' O ' HG13 ' A' ' 35' ' ' ILE . 1.4 m-20 -57.89 -65.62 0.61 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.553 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.6 -34.34 72.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.324 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 t -65.6 -33.14 75.21 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.471 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tt -75.44 -36.66 60.7 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 31' ' ' ASP . 53.2 mt -68.31 -40.09 81.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.65 0.262 . . . . 0.0 110.474 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.63 93.03 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 174.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.13 -47.28 85.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.435 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.99 -48.93 83.46 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.509 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -62.14 -42.96 99.76 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.653 0.263 . . . . 0.0 110.749 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.6 tpt -67.54 -52.15 42.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -176.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.51 -46.48 70.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 111.17 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.6 t -62.99 -56.76 14.24 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.618 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -58.91 -46.0 88.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.67 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.53 -52.76 64.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.306 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.7 mt -72.43 -10.23 59.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.212 -175.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.511 HG21 ' HB2' ' B' ' 72' ' ' ARG . 32.0 p -109.42 3.74 21.73 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 176.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.4 p -130.51 -34.29 1.59 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.4 m -102.91 27.37 7.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.083 0.468 . . . . 0.0 111.513 -175.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.18 157.44 43.64 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.374 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.66 -69.05 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.993 2.462 . . . . 0.0 112.628 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -175.08 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.517 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.6 m -63.95 -27.49 69.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.277 0.56 . . . . 0.0 111.068 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.813 ' HB3' HD13 ' A' ' 57' ' ' LEU . 85.9 mt-30 -75.19 -5.74 46.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.384 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.4 t -55.04 -56.17 22.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.106 0.479 . . . . 0.0 110.801 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -77.91 -37.06 48.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.386 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.84 -50.14 75.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.119 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.813 HD13 ' HB3' ' A' ' 53' ' ' GLN . 9.1 mp -68.09 -35.83 78.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.47 77.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.744 0.307 . . . . 0.0 110.759 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.457 ' HG2' HD12 ' B' ' 66' ' ' ILE . 94.0 mt-30 -65.51 -44.25 87.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.53 87.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.786 0.327 . . . . 0.0 111.167 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 91.3 t80 -60.96 -48.32 82.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.115 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.594 ' HB2' ' CB ' ' B' ' 62' ' ' SER . 13.6 p -65.89 -43.2 88.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.529 -176.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.455 ' HA ' HG12 ' A' ' 66' ' ' ILE . 26.8 m-80 -67.21 -32.25 73.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.716 0.293 . . . . 0.0 111.104 177.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.5 t -63.67 -37.54 87.74 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 90.7 mt -61.82 -44.19 97.34 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.088 175.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 62' ' ' SER . 18.8 mm -55.8 -47.43 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.228 0.537 . . . . 0.0 109.984 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -62.47 -43.35 99.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.128 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.45 -46.56 89.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.86 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.444 ' HA ' ' CG2' ' B' ' 46' ' ' THR . 85.6 t -61.26 -48.16 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.627 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -62.68 -37.41 86.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.988 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.7 m -63.2 -46.16 88.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.625 0.25 . . . . 0.0 111.246 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -70.28 -37.88 74.93 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.889 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.9 -36.7 84.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.992 0.425 . . . . 0.0 110.675 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -61.35 -43.98 97.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.138 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -65.34 -12.81 55.61 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -175.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -95.5 94.07 7.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -104.31 173.97 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.299 0.571 . . . . 0.0 111.91 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 80' ' ' HIS . 52.0 t-80 -157.09 102.35 1.96 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 174.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.79 73.48 7.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.108 0.48 . . . . 0.0 110.676 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 10.6 t-160 . . . . . 0 C--O 1.247 0.953 0 CA-C-N 114.85 -1.068 . . . . 0.0 108.558 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.53 -172.72 4.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -59.19 129.7 43.39 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -79.09 -26.44 42.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.377 -175.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 41.7 m -103.75 122.37 44.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 172.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -79.55 -9.02 59.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 56.62 36.79 28.16 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.161 0.288 . . . . 0.0 111.361 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 38.2 t -68.02 135.28 52.05 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 120.857 0.361 . . . . 0.0 111.141 -175.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.73 -26.52 65.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.228 171.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.46 -33.08 48.64 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.281 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -73.46 -39.27 65.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.265 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.654 ' O ' HG23 ' B' ' 16' ' ' VAL . 50.8 tp -61.84 -53.6 53.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.262 175.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 53.3 m -53.75 -36.11 61.97 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.364 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.87 81.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.716 0.293 . . . . 0.0 110.691 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 61.4 mt -64.62 -39.52 85.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.382 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.654 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.1 t -69.03 -34.81 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -66.76 -41.56 87.56 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.195 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.504 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.5 OUTLIER -54.63 -47.56 73.32 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.469 175.099 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.448 ' O ' ' HB2' ' B' ' 23' ' ' LEU . 52.0 ttm -54.92 -44.46 74.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.796 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.38 -44.17 77.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.067 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.506 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -64.26 -53.28 51.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.25 -178.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.521 HG11 HG21 ' A' ' 22' ' ' VAL . 43.3 t -63.13 -28.47 45.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-O 120.929 0.395 . . . . 0.0 110.32 -177.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' B' ' 19' ' ' MET . 18.8 tp -60.13 -47.26 86.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.121 174.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -73.99 -26.55 60.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.066 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 32.4 mmmt -66.84 -14.91 63.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 110.932 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -116.31 -9.47 11.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.026 0.441 . . . . 0.0 109.934 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.497 ' HA ' ' HD2' ' B' ' 27' ' ' LYS . 37.1 tptt 55.37 73.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.365 -177.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.481 ' HB2' HD13 ' A' ' 15' ' ' ILE . . . -97.55 123.99 50.19 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.257 177.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 15.6 Cg_exo -67.82 160.08 49.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.842 2.362 . . . . 0.0 111.542 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.14 -39.57 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 123.182 0.301 . . . . 0.0 111.808 -176.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.499 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.8 p-10 -67.23 -52.4 41.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.408 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.17 -36.64 74.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.673 0.273 . . . . 0.0 111.142 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.8 t -61.28 -40.37 93.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.093 0.473 . . . . 0.0 109.99 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 tt -64.26 -40.17 95.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.313 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.585 ' HB ' HD11 ' A' ' 12' ' ' LEU . 39.0 mt -72.53 -45.3 59.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.96 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.682 ' HB1' ' HB ' ' A' ' 16' ' ' VAL . . . -52.73 -49.68 64.93 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.685 0.279 . . . . 0.0 110.589 171.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 23.5 tp -59.79 -37.51 79.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.196 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.41 -49.92 62.57 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.387 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -59.02 -40.67 85.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.673 0.273 . . . . 0.0 110.316 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.91 -56.89 15.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.259 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.27 -47.07 79.31 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.46 -178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 26.4 m -57.14 -55.77 30.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.761 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -66.87 -28.6 68.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.073 -175.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.92 -54.1 39.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 0.0 110.805 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.53 -16.9 61.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.199 0.523 . . . . 0.0 112.035 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 69' ' ' VAL . 22.5 p -99.03 -1.82 38.76 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m -131.64 -40.86 1.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.266 -0.574 . . . . 0.0 112.442 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -85.02 -39.66 17.77 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -172.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 28.6 m -95.28 155.07 39.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.737 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -57.19 126.85 23.42 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.073 2.515 . . . . 0.0 112.492 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.593 ' HA ' ' SG ' ' B' ' 54' ' ' CYS . 32.9 mm-40 -76.0 -4.36 40.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.27 0.557 . . . . 0.0 111.218 -176.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' THR . . . . . 0.515 HG23 ' HG3' ' B' ' 53' ' ' GLN . 9.9 t -77.95 -16.44 58.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.237 175.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.515 ' HG3' HG23 ' B' ' 52' ' ' THR . 79.1 mt-30 -135.86 6.7 3.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.343 -177.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' CYS . . . . . 0.593 ' SG ' ' HA ' ' B' ' 51' ' ' GLN . 19.8 p -64.19 -43.58 94.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.349 -175.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -65.99 -34.74 78.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.211 0.529 . . . . 0.0 110.127 -177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.81 -48.74 52.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.69 -37.08 86.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.238 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.89 85.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.933 0.396 . . . . 0.0 110.327 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -66.14 -39.0 89.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.179 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.44 -48.35 64.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.559 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.41 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 37.4 t80 -56.89 -46.42 81.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.861 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.594 ' CB ' ' HB2' ' A' ' 62' ' ' SER . 11.8 p -62.26 -55.34 29.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.426 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -60.14 -35.46 75.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.522 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 19.5 t -64.16 -41.17 97.26 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.484 ' O ' HG23 ' B' ' 69' ' ' VAL . 61.7 mt -67.03 -32.75 74.18 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.568 HG12 ' O ' ' B' ' 62' ' ' SER . 44.0 mm -59.78 -49.02 85.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.049 0.452 . . . . 0.0 110.054 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -67.57 -33.45 75.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.365 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.67 90.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.745 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 65' ' ' LEU . 55.3 t -58.16 -48.27 85.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 111.014 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -57.58 -41.16 80.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.698 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 25.8 m -72.35 -39.71 67.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.998 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.511 ' HB2' HG21 ' A' ' 46' ' ' THR . 26.8 mmt180 -57.99 -53.63 56.02 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.802 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.8 tp -64.76 -49.59 70.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.655 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -86.75 74.54 9.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.309 0.576 . . . . 0.0 110.947 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -123.52 140.78 52.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.691 174.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -90.37 13.96 14.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.513 0.673 . . . . 0.0 109.473 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -132.52 142.51 49.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.684 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -125.54 116.35 21.63 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.835 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -91.35 131.24 36.97 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.311 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.395 -0.812 . . . . 0.0 109.378 177.452 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.891 0.377 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.61 92.43 9.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.991 0.424 . . . . 0.0 110.608 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -89.31 70.15 8.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 63.6 23.62 13.65 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.917 -176.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 p -79.6 70.97 6.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.547 0.689 . . . . 0.0 110.481 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -112.04 -36.81 5.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.466 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -140.5 90.42 2.35 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.191 -173.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.6 m -128.12 132.64 48.95 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.471 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.29 -32.16 62.18 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.48 -35.98 65.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.863 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -71.24 -43.75 66.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.964 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.8 tp -61.92 -56.24 21.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.801 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.5 p -57.27 -36.27 70.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.469 -175.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.51 89.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.806 0.336 . . . . 0.0 110.762 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.46 -44.16 96.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.233 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.9 t -69.02 -37.35 77.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.312 . . . . 0.0 110.381 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -70.17 -29.58 66.5 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.994 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.578 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.2 m-20 -62.09 -47.13 86.0 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 173.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.5 mmt -53.92 -43.11 69.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 110.948 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.59 -47.68 82.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.847 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . -63.7 -53.52 50.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.294 -177.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 18' ' ' ASP . 61.8 t -56.59 -36.32 47.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.631 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 28' ' ' ALA . 59.2 tp -57.92 -50.3 73.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.826 176.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.36 -42.17 72.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.167 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 29.1 mtpp -62.77 -37.7 87.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.393 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -80.82 -9.48 59.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.217 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm 60.46 55.58 3.42 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.429 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.49 ' HB2' HD13 ' B' ' 15' ' ' ILE . . . -96.61 132.74 25.7 Favored Pre-proline 0 N--CA 1.45 -0.456 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 175.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.564 ' HD2' ' HB3' ' A' ' 32' ' ' LEU . 17.9 Cg_exo -66.85 154.21 75.34 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.496 2.131 . . . . 0.0 110.789 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 49.1 t -56.49 -38.39 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.048 0.451 . . . . 0.0 111.304 -175.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.437 ' O ' HG13 ' A' ' 35' ' ' ILE . 10.2 p-10 -76.8 -40.41 48.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.902 -175.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB3' ' HD2' ' A' ' 29' ' ' PRO . 38.1 tp -70.9 -32.93 70.04 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.8 t -63.75 -41.1 98.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.425 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 91.4 mt -61.35 -37.25 82.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.464 177.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 31' ' ' ASP . 62.4 mt -64.6 -44.29 96.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.745 176.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.01 -51.09 70.69 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.866 0.365 . . . . 0.0 110.21 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.7 tp -57.57 -42.29 82.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.44 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.86 -50.79 63.85 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.328 -0.463 . . . . 0.0 112.597 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -65.07 -36.84 85.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.482 0.182 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.8 ttt -68.47 -47.15 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.687 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.25 95.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.846 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.9 m -57.38 -45.58 84.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.92 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -58.2 -49.2 77.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.796 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.3 mt -70.24 -36.87 74.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.141 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 tp -74.02 -13.19 60.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.449 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.2 p -109.59 9.13 25.21 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.263 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.8 m -140.27 -45.51 0.42 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -174.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.7 m -99.52 -9.73 22.95 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -166.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.653 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 24.6 m -97.56 167.75 11.28 Favored Pre-proline 0 C--N 1.323 -0.582 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.574 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.653 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 12.4 Cg_endo -56.01 108.95 0.37 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.557 2.172 . . . . 0.0 111.209 174.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.452 ' HG3' HD21 ' B' ' 73' ' ' LEU . 3.8 tp-100 -68.0 -32.84 73.51 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.088 -169.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -81.35 -12.47 59.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.174 0.511 . . . . 0.0 111.168 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -122.87 17.88 10.17 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.576 ' HB2' HG11 ' B' ' 69' ' ' VAL . 5.5 p -53.96 -52.32 61.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.336 -173.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.68 -40.67 84.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.431 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.47 -44.99 77.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.967 0.413 . . . . 0.0 111.009 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.86 -34.25 71.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.242 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.49 81.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.641 0.258 . . . . 0.0 110.67 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -66.79 -35.81 80.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.019 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.99 85.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.003 0.43 . . . . 0.0 110.459 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.03 -45.17 93.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.949 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.699 ' O ' HG12 ' A' ' 66' ' ' ILE . 41.2 t -56.07 -59.51 4.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.539 177.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -52.05 -38.46 57.1 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.249 0.343 . . . . 0.0 111.717 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 m -60.72 -45.84 92.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.738 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.515 HD12 HD12 ' B' ' 45' ' ' LEU . 4.3 mm? -72.92 -31.32 64.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.993 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.699 HG12 ' O ' ' A' ' 62' ' ' SER . 38.0 mm -63.69 -33.0 59.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -76.97 -25.91 53.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.08 -48.55 70.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 172.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.9 t -62.19 -39.6 84.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.863 174.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -53.62 -43.42 68.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.57 175.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.5 m -70.44 -26.5 63.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.202 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -35.93 65.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.5 mt -72.68 -24.92 61.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.599 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.0 126.8 30.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.99 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -157.13 20.28 0.3 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.962 -174.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -81.57 84.25 6.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.22 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -136.76 -37.07 0.68 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.208 0.528 . . . . 0.0 110.267 174.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -138.7 92.73 2.65 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -75.62 -51.18 13.4 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.847 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.4 m80 . . . . . 0 C--O 1.243 0.753 0 CA-C-O 118.508 -0.758 . . . . 0.0 109.024 174.965 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.92 0.391 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.6 -173.15 3.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.503 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -69.26 -59.8 2.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.075 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 42.9 t60 57.07 23.79 8.86 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.439 0.638 . . . . 0.0 111.175 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -121.78 101.08 7.35 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.243 0.544 . . . . 0.0 111.542 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -98.51 71.14 1.99 Allowed 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 66.6 47.61 1.59 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.497 -1.228 . . . . 0.0 110.237 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 41.8 t -59.17 122.55 14.1 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.778 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -68.26 -13.37 62.21 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.45 -36.19 15.57 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.775 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.427 ' O ' HG13 ' B' ' 15' ' ' ILE . 7.2 tp60 -70.73 -40.9 72.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.628 ' O ' HG23 ' B' ' 16' ' ' VAL . 54.6 tp -58.78 -59.08 6.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.621 178.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 45.7 p -54.13 -45.82 72.03 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 123.34 0.4 . . . . 0.0 111.553 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.95 71.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.49 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' A' ' 28' ' ' ALA . 81.1 mt -74.51 -49.4 31.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.835 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.628 HG23 ' O ' ' B' ' 12' ' ' LEU . 0.8 OUTLIER -66.67 -35.06 73.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.19 0.519 . . . . 0.0 109.84 -178.616 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.84 -43.17 99.5 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.945 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.763 ' O ' HG23 ' B' ' 22' ' ' VAL . 34.2 t70 -67.91 -43.16 79.89 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -177.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 61.4 mtt -54.27 -42.69 70.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.595 0.236 . . . . 0.0 111.377 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.83 -43.03 89.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.649 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.595 ' O ' ' HB2' ' B' ' 25' ' ' LYS . . . -62.54 -38.11 88.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.763 HG23 ' O ' ' B' ' 18' ' ' ASP . 44.7 t -67.66 -41.61 85.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.112 0.482 . . . . 0.0 109.962 177.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.3 tp -57.93 -56.52 20.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.731 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.471 ' HG3' ' HD2' ' B' ' 27' ' ' LYS . 35.8 tt0 -75.51 -8.47 56.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.979 0.419 . . . . 0.0 110.905 -177.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' B' ' 21' ' ' ALA . 33.7 ttmt -67.78 -29.15 68.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -99.73 -18.35 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.238 172.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.471 ' HD2' ' HG3' ' B' ' 24' ' ' GLU . 39.8 tptt 61.29 89.46 0.08 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.584 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -108.26 135.82 19.9 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.201 177.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' B' ' 32' ' ' LEU . 27.3 Cg_exo -62.06 158.94 36.51 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.584 2.189 . . . . 0.0 111.311 175.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 33.4 m -56.14 -29.45 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.343 . . . . 0.0 111.757 -178.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.42 ' O ' HG13 ' B' ' 35' ' ' ILE . 15.9 t70 -76.99 -52.51 9.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.731 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.566 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 35.7 tp -62.37 -40.23 95.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.014 0.435 . . . . 0.0 110.438 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -65.4 -32.31 73.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.518 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 13.7 tp -67.39 -34.04 76.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.003 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.42 HG13 ' O ' ' B' ' 31' ' ' ASP . 38.5 mt -69.24 -44.18 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.297 177.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.42 98.84 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.31 175.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.43 -45.01 96.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.132 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.92 -51.77 56.52 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.241 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -60.47 -38.05 82.97 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.759 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 13.7 tpt -66.97 -48.1 69.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.2 87.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.748 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 27.1 t -59.37 -44.34 92.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.221 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -58.54 -51.79 68.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.587 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.51 -46.18 87.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.561 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 65' ' ' LEU . 91.8 mt -77.31 -12.19 59.92 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -173.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 20.4 p -100.96 -14.66 17.79 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.303 -0.559 . . . . 0.0 112.083 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 75.5 p -127.32 -37.26 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -174.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 11.9 m -112.15 25.49 11.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -164.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.443 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 35.4 m -127.28 161.63 53.21 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 177.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.443 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 12.6 Cg_endo -57.62 111.36 0.81 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.327 2.018 . . . . 0.0 110.737 173.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -60.78 -24.62 65.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -170.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 20.9 p -90.53 -46.75 8.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.085 0.469 . . . . 0.0 111.634 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -91.8 16.12 11.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.968 -176.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 6.6 p -55.95 -43.48 77.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.066 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.45 -39.86 92.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.995 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.04 -55.74 20.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.894 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.15 -40.67 94.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.622 -176.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.95 -49.33 78.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 111.096 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -79.36 -26.26 42.1 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.094 -177.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.6 90.11 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 174.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.444 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 65.4 t80 -62.62 -42.39 99.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.188 176.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.575 ' O ' HG12 ' B' ' 66' ' ' ILE . 49.1 m -59.08 -57.1 14.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -60.13 -33.05 71.62 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.783 -0.189 . . . . 0.0 111.306 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 70.1 m -62.29 -41.52 98.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.465 ' O ' HG23 ' B' ' 69' ' ' VAL . 95.5 mt -63.31 -46.44 86.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.393 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.575 HG12 ' O ' ' B' ' 62' ' ' SER . 14.3 mm -57.64 -49.29 81.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 121.058 0.456 . . . . 0.0 110.166 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -63.71 -41.38 98.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.902 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.69 68.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.984 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 54' ' ' CYS . 60.1 t -62.86 -46.74 95.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.714 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.89 -37.6 74.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.259 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 50.8 m -76.47 -39.27 53.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.765 0.317 . . . . 0.0 111.229 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -65.64 -45.82 81.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.662 0.267 . . . . 0.0 111.137 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.452 HD21 ' HG3' ' A' ' 51' ' ' GLN . 10.8 mp -74.06 -41.85 61.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.793 0.33 . . . . 0.0 110.299 177.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 62.68 16.53 8.99 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.214 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -70.85 -50.66 32.85 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -83.48 96.04 8.47 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 170.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -84.88 39.12 0.74 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.415 0.626 . . . . 0.0 110.716 -173.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -89.08 33.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -152.23 139.72 19.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.984 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 84.3 t60 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.783 179.219 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.74 80.82 1.87 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.235 0.54 . . . . 0.0 110.406 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.498 ' H ' ' HG3' ' A' ' 3' ' ' GLN . 1.1 pp0? -90.96 47.33 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.492 0.663 . . . . 0.0 111.336 -177.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -59.2 -50.09 75.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.405 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p -113.43 80.2 1.34 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.298 177.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -91.37 1.3 57.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.996 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.7 t80 63.05 87.02 0.11 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.711 177.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.726 ' HB2' ' HG3' ' A' ' 11' ' ' GLN . 18.1 m -124.98 144.59 50.3 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.07 -176.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.12 -34.6 68.52 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 170.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.97 94.89 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.38 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.726 ' HG3' ' HB2' ' A' ' 8' ' ' SER . 45.9 mt-30 -68.57 -46.67 68.81 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.077 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.683 ' O ' HG23 ' A' ' 16' ' ' VAL . 63.3 tp -61.03 -59.25 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.861 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -56.31 -39.35 72.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.552 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.43 96.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.754 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.0 mt -69.16 -49.27 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.203 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.0 t -63.98 -45.61 96.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.95 0.405 . . . . 0.0 110.647 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -66.41 -34.91 79.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.663 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -71.71 -37.87 70.58 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.417 ' HA ' HG22 ' A' ' 22' ' ' VAL . 53.0 tpp -62.36 -45.77 91.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.66 177.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.5 mt -62.61 -38.95 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.114 0.483 . . . . 0.0 110.29 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.84 -52.63 55.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.103 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 19' ' ' MET . 33.2 m -67.47 -24.64 31.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.649 0.261 . . . . 0.0 110.96 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.18 -38.27 89.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 110.093 175.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 1.8 tm-20 -66.18 -43.25 87.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.972 178.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 3.7 mptp? -75.19 -21.65 58.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.063 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.37 -34.24 55.09 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 171.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 48.2 mttp 56.95 75.34 0.37 Allowed 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.959 -175.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.47 106.03 43.03 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.16 173.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.97 165.41 16.6 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.522 2.148 . . . . 0.0 111.845 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p -51.11 -29.91 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.621 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' O ' HG13 ' A' ' 35' ' ' ILE . 3.9 m-20 -60.89 -68.89 0.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.191 0.519 . . . . 0.0 110.513 176.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -66.23 -36.77 83.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.366 -175.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.3 t -63.17 -42.0 99.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.387 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.22 -38.97 92.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.301 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 31' ' ' ASP . 44.7 mt -68.61 -41.37 82.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.87 0.367 . . . . 0.0 110.694 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -61.97 -48.93 78.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.515 177.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.13 -29.01 69.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.585 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.49 -52.11 51.44 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.07 176.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -63.88 -36.66 84.66 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.072 0.463 . . . . 0.0 110.764 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -66.52 -48.1 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.589 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.08 -55.55 33.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.569 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.7 p -58.76 -46.96 86.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.699 0.285 . . . . 0.0 110.9 -176.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -57.19 -54.1 50.56 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.924 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.94 -43.26 96.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.636 -177.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.493 ' O ' HG22 ' A' ' 49' ' ' VAL . 83.7 mt -59.81 -26.48 65.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.737 0.303 . . . . 0.0 111.255 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.2 p -96.39 16.05 19.6 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.9 t -147.67 -20.48 0.37 Allowed 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.0 p -99.23 -41.31 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.862 -0.524 . . . . 0.0 111.835 -176.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.83 HG23 ' H ' ' A' ' 51' ' ' GLN . 4.8 m -76.99 171.63 11.9 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -176.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.487 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 51.3 Cg_exo -56.46 -11.74 7.02 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.26 2.64 . . . . 0.0 113.739 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.83 ' H ' HG23 ' A' ' 49' ' ' VAL . 48.9 tt0 75.35 -55.32 0.63 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.762 0.825 . . . . 0.0 111.752 173.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.9 m -66.65 -23.52 66.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.259 0.552 . . . . 0.0 110.959 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HG2' ' HB3' ' A' ' 56' ' ' ALA . 53.5 tt0 -119.21 22.28 11.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.724 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.7 t -55.79 -46.94 77.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.518 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.608 ' HG3' HG23 ' B' ' 66' ' ' ILE . 35.1 tt0 -62.31 -41.06 98.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.382 -175.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.52 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . . . -66.61 -39.58 88.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.84 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.51 -37.99 86.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.697 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.37 88.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.818 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -66.96 -36.92 83.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.158 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.97 86.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.881 0.372 . . . . 0.0 110.547 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -64.95 -42.08 94.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.648 ' O ' HG12 ' A' ' 66' ' ' ILE . 48.5 t -56.64 -55.64 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.7 177.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -56.3 -35.76 67.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.618 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.2 t -63.76 -40.05 95.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.837 0.351 . . . . 0.0 110.232 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 69' ' ' VAL . 92.5 mt -67.51 -45.39 75.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.187 177.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.648 HG12 ' O ' ' A' ' 62' ' ' SER . 17.4 mm -56.98 -48.3 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.821 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -56.59 -44.11 80.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.062 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.31 84.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.074 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 65' ' ' LEU . 91.2 t -60.99 -49.08 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HD2' HG22 ' A' ' 66' ' ' ILE . 29.1 mtpp -59.16 -39.63 83.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.288 -178.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.2 m -70.19 -28.45 65.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.355 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 72' ' ' ARG . 35.7 ttt-85 -87.89 -42.6 12.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.942 0.401 . . . . 0.0 111.149 -178.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.39 -1.01 57.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.444 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -34.51 108.68 0.07 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.82 0.848 . . . . 0.0 113.096 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -99.27 134.29 42.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 172.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -84.86 78.92 9.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.577 0.703 . . . . 0.0 111.101 -173.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -129.9 110.59 11.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.741 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -82.09 76.9 8.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.447 ' O ' ' HB3' ' A' ' 80' ' ' HIS . 47.0 t-80 69.83 154.32 0.12 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.483 -169.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 79' ' ' HIS . 55.8 t-80 . . . . . 0 C--O 1.246 0.918 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.9 7.98 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.244 0.545 . . . . 0.0 110.883 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -97.72 132.72 43.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.616 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -87.25 -22.04 25.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.403 0.621 . . . . 0.0 109.369 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.561 ' HA ' ' HG2' ' B' ' 11' ' ' GLN . 7.4 m -81.65 29.4 0.38 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.693 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -79.41 39.42 0.4 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.526 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 60.57 79.0 0.26 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.255 0.55 . . . . 0.0 110.055 -173.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.445 ' HB3' ' CB ' ' B' ' 11' ' ' GLN . 12.9 t -122.96 136.47 54.87 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.989 -178.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.37 -26.26 67.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.02 -38.46 44.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.335 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.561 ' HG2' ' HA ' ' B' ' 5' ' ' SER . 24.1 tp60 -63.76 -46.31 85.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.831 175.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.672 ' O ' HG23 ' B' ' 16' ' ' VAL . 53.0 tp -60.47 -55.52 32.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.802 -179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 67.1 m -51.73 -44.42 63.26 Favored 'General case' 0 C--O 1.226 -0.16 0 O-C-N 123.428 0.455 . . . . 0.0 111.676 -176.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.18 90.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.566 0.222 . . . . 0.0 111.386 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.403 HG13 ' O ' ' B' ' 11' ' ' GLN . 75.7 mt -68.13 -45.85 82.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.675 0.274 . . . . 0.0 110.691 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.672 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.1 t -69.0 -38.07 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -63.25 -36.97 85.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.815 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.78 ' O ' HG23 ' B' ' 22' ' ' VAL . 35.4 t70 -68.13 -43.93 77.24 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 25.9 mmt -54.79 -44.46 73.77 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.406 0.441 . . . . 0.0 110.961 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.8 mt -60.87 -40.45 85.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.343 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.27 -42.84 83.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.947 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.78 HG23 ' O ' ' B' ' 18' ' ' ASP . 47.7 t -56.89 -42.43 78.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 121.011 0.434 . . . . 0.0 110.488 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' B' ' 28' ' ' ALA . 55.1 tp -66.17 -41.84 89.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.808 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -71.62 -43.15 66.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.39 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -64.49 -42.28 95.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.043 0.449 . . . . 0.0 111.197 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -87.0 -17.72 32.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.49 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.521 ' NZ ' ' HB3' ' B' ' 27' ' ' LYS . 8.9 mtpm? 52.11 46.76 26.06 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.417 0.448 . . . . 0.0 111.402 -177.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.405 ' HB3' HD12 ' B' ' 23' ' ' LEU . . . -68.83 124.63 90.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.79 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -54.65 142.89 71.32 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.49 2.127 . . . . 0.0 111.696 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.589 ' O ' HD23 ' B' ' 34' ' ' LEU . 31.2 m -68.93 5.38 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.506 0.669 . . . . 0.0 111.266 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.537 ' O ' HG13 ' B' ' 35' ' ' ILE . 21.0 t70 -92.82 -57.8 2.54 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.547 172.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.21 -29.83 48.55 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.989 -174.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 20.6 p -62.56 -38.14 88.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.946 0.403 . . . . 0.0 110.134 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.589 HD23 ' O ' ' B' ' 30' ' ' VAL . 4.2 mm? -74.75 -32.42 62.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.673 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 31' ' ' ASP . 73.6 mt -65.53 -48.41 82.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 120.724 0.297 . . . . 0.0 110.301 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.49 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -55.8 -42.26 75.35 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.721 173.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.17 -46.54 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.821 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.72 -44.33 98.06 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.096 -0.574 . . . . 0.0 112.331 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -57.74 -48.97 78.1 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.008 0.433 . . . . 0.0 110.401 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 56.2 ttp -67.16 -43.45 82.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.803 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.84 83.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.98 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.7 m -57.47 -48.57 78.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.962 0.41 . . . . 0.0 110.983 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -63.37 -40.38 97.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.98 -41.95 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.465 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -68.91 -20.54 64.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.747 0.308 . . . . 0.0 111.756 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.2 p -101.01 13.05 36.48 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.462 -0.495 . . . . 0.0 112.003 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.3 p -139.82 -48.68 0.46 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.3 m -94.52 -10.46 32.14 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -167.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.656 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 21.1 m -120.28 164.45 22.65 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.656 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 10.0 Cg_endo -53.93 102.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.727 2.285 . . . . 0.0 112.032 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.534 ' HA ' ' HB3' ' B' ' 54' ' ' CYS . 12.8 pt20 -78.98 -0.65 31.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.724 -173.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 24.9 p -87.19 -24.52 24.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.348 0.594 . . . . 0.0 110.236 175.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -117.56 22.65 12.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' CYS . . . . . 0.534 ' HB3' ' HA ' ' B' ' 51' ' ' GLN . 4.9 p -48.97 -48.21 43.39 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.824 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.63 -45.27 94.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.627 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.52 73.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.494 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.17 -42.21 99.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.238 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.87 -43.71 98.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.944 0.402 . . . . 0.0 110.98 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -69.74 -37.36 76.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.61 87.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.775 0.321 . . . . 0.0 111.098 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -63.93 -43.69 95.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.768 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.597 ' O ' HG12 ' B' ' 66' ' ' ILE . 8.5 p -66.92 -43.07 84.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.229 -178.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -59.82 -33.02 71.21 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.809 0.337 . . . . 0.0 111.043 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 31.1 m -66.45 -39.48 88.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.948 0.404 . . . . 0.0 110.03 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.486 ' O ' HG23 ' B' ' 69' ' ' VAL . 98.7 mt -65.84 -35.61 81.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.495 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.608 HG23 ' HG3' ' A' ' 55' ' ' GLU . 40.2 mm -58.06 -41.85 81.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 121.382 0.611 . . . . 0.0 110.128 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.84 -37.64 86.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.349 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.22 85.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.18 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 65' ' ' LEU . 86.3 t -58.21 -46.53 88.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.903 0.382 . . . . 0.0 110.184 175.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' B' ' 74' ' ' GLU . 64.3 mttp -62.41 -38.33 89.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.86 177.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 40.1 m -60.46 -33.77 73.04 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 111.239 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -80.59 -37.54 31.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.074 0.464 . . . . 0.0 110.34 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 52.1 tp -66.57 -35.6 80.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.106 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' B' ' 70' ' ' LYS . 47.3 mt-10 -74.75 108.75 7.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.483 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -80.37 -7.43 59.09 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.329 0.585 . . . . 0.0 109.688 170.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -79.84 -29.14 40.04 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 170.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 72.01 2.58 4.36 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.453 -1.249 . . . . 0.0 113.384 165.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' HIS . . . . . 0.441 ' O ' ' HB3' ' B' ' 79' ' ' HIS . 3.2 m80 54.4 86.06 0.05 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -171.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' HIS . . . . . 0.441 ' HB3' ' O ' ' B' ' 78' ' ' HIS . 27.6 t60 72.48 98.37 0.07 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.931 -166.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.55 -0.738 . . . . 0.0 110.206 -175.534 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.763 ' HG3' ' H ' ' A' ' 2' ' ' ALA . 10.4 tpt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.763 ' H ' ' HG3' ' A' ' 1' ' ' MET . . . -62.16 106.24 0.7 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.06 0.457 . . . . 0.0 111.229 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.71 130.07 49.53 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 -178.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -83.54 58.88 4.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.982 0.42 . . . . 0.0 111.313 -174.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 t 61.29 -177.05 0.12 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.523 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -118.27 40.39 3.2 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 122.16 -0.337 . . . . 0.0 110.984 -173.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.1 t80 59.32 81.76 0.16 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.356 0.598 . . . . 0.0 110.318 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.431 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 42.0 t -107.85 144.22 35.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.93 -175.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -70.66 -22.16 62.52 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.38 -33.48 37.16 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.431 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 57.7 tt0 -62.3 -46.14 90.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.385 173.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.4 tm? -57.18 -52.18 66.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.952 174.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -56.06 -40.87 74.19 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.296 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.85 78.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.797 0.332 . . . . 0.0 111.241 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.7 mt -72.2 -44.37 64.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.6 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.8 t -64.48 -38.49 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -56.38 -42.25 77.58 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.975 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.735 ' O ' HG23 ' A' ' 22' ' ' VAL . 6.8 t0 -62.45 -57.98 9.28 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.2 ttp -53.25 -44.96 68.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.778 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.0 mt -60.71 -45.57 97.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 110.452 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.37 -34.17 77.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.495 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 18' ' ' ASP . 60.1 t -66.68 -42.55 89.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.082 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 mp -68.03 -35.53 78.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.595 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -65.33 -26.67 68.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.192 0.52 . . . . 0.0 109.724 174.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -75.32 -24.82 57.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.745 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -98.42 -34.52 10.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.957 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 tptm 57.46 78.62 0.22 Allowed 'General case' 0 CA--C 1.531 0.22 0 O-C-N 123.915 0.759 . . . . 0.0 111.37 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.86 143.69 26.81 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.158 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.23 38.62 0.55 Allowed 'Trans proline' 0 N--CA 1.477 0.528 0 C-N-CA 123.258 2.639 . . . . 0.0 114.235 -172.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.5 t 71.89 -52.23 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.604 0.762 . . . . 0.0 112.153 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.85 -59.73 4.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.137 0.494 . . . . 0.0 110.695 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.495 HD23 HD12 ' A' ' 35' ' ' ILE . 97.1 mt -66.35 -28.06 68.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.15 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -62.97 -39.24 94.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.978 0.418 . . . . 0.0 110.097 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -71.53 -38.43 71.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.81 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.495 HD12 HD23 ' A' ' 32' ' ' LEU . 54.1 mt -64.52 -43.15 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.668 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.51 -46.55 89.72 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.262 176.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.0 -41.49 87.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.715 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.8 -53.26 47.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.226 -0.512 . . . . 0.0 112.242 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.458 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 93.3 m-20 -61.04 -40.95 95.54 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.83 0.348 . . . . 0.0 110.719 178.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.9 ttt -64.65 -54.0 38.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.42 -177.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.51 84.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.375 -176.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 t -63.81 -40.57 96.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.542 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 24.3 t-20 -59.81 -45.71 91.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.823 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.54 -37.21 76.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.956 0.407 . . . . 0.0 111.098 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.3 mt -75.93 -13.4 60.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.668 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.42 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 18.8 p -107.59 8.68 29.31 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.741 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.7 p -126.44 -46.0 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.8 t -87.47 -56.23 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.72 -172.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.501 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 29.0 m -76.12 162.84 69.96 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.716 -177.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.52 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . 78.2 Cg_exo -47.17 119.65 3.66 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.984 2.456 . . . . 0.0 112.416 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.919 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 79.8 mt-30 -70.86 -21.09 62.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.969 -172.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 p -83.34 -14.56 52.64 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.629 0.728 . . . . 0.0 110.554 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HB2' ' HB2' ' A' ' 50' ' ' PRO . 78.2 mt-30 -106.57 4.7 28.37 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.083 178.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.919 ' SG ' ' HA ' ' A' ' 51' ' ' GLN . 68.1 m -53.5 -45.55 69.72 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.363 0.414 . . . . 0.0 111.225 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.14 -44.99 90.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.94 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.11 76.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.217 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -68.58 -37.05 79.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.925 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.25 -44.68 95.99 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -59.67 -44.76 93.45 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.745 175.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.7 98.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -64.12 -55.26 23.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.649 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.646 ' O ' HG12 ' A' ' 66' ' ' ILE . 74.6 p -62.35 -46.57 88.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.183 -175.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -61.63 -30.9 71.01 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -65.93 -36.74 84.2 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 69' ' ' VAL . 4.1 mm? -71.99 -39.75 69.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.692 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.646 HG12 ' O ' ' A' ' 62' ' ' SER . 26.4 mm -60.51 -46.2 95.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.05 0.452 . . . . 0.0 109.853 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -63.08 -34.22 77.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.816 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.6 98.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.301 176.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 65' ' ' LEU . 89.5 t -62.19 -41.39 91.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.367 176.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 66' ' ' ILE . 73.9 mmtt -59.83 -41.99 92.57 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.409 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.8 m -72.21 -32.75 67.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.877 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -78.46 -15.89 58.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.133 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.7 tp -86.8 -51.44 6.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.073 0.463 . . . . 0.0 110.294 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -82.06 121.12 26.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.255 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -115.81 -98.42 0.45 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.365 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -100.12 145.69 27.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.842 0.353 . . . . 0.0 110.502 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -84.09 108.64 17.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.563 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -103.85 -43.12 5.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.645 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -79.72 14.09 1.85 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.061 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 . . . . . 0 C--O 1.242 0.705 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.335 178.742 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.56 -84.22 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.903 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -107.51 90.02 3.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.219 0.533 . . . . 0.0 112.406 -169.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -149.29 -9.83 0.32 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.373 170.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 4.8 p -66.17 -47.95 72.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.681 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.472 ' O ' HD11 ' A' ' 32' ' ' LEU . 90.9 mttt -61.36 -41.43 97.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.577 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -103.68 62.39 0.77 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.534 0.683 . . . . 0.0 111.29 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 63.2 m -92.07 107.42 19.19 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.024 172.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -63.4 -14.58 51.86 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.47 -39.1 67.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -69.09 -42.26 76.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.489 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.67 ' O ' HG23 ' B' ' 16' ' ' VAL . 42.4 tp -58.52 -54.18 49.91 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.605 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.3 m -53.33 -42.93 67.25 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 123.375 0.422 . . . . 0.0 111.242 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.62 88.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.115 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 60.6 mt -73.89 -46.31 46.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.355 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.4 t -65.68 -39.54 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.028 0.442 . . . . 0.0 110.316 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -66.75 -33.82 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.737 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.758 ' O ' HG23 ' B' ' 22' ' ' VAL . 22.8 t70 -72.28 -34.72 68.39 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 56.1 mtt -58.63 -42.07 87.45 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 123.484 0.49 . . . . 0.0 110.945 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.98 -40.41 88.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.226 0.536 . . . . 0.0 109.874 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.91 -30.35 71.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.746 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.758 HG23 ' O ' ' B' ' 18' ' ' ASP . 47.0 t -62.61 -47.28 93.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.127 175.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.06 -40.75 94.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.463 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.74 -37.96 73.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.486 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -61.85 -43.48 98.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.43 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -96.71 -2.17 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.805 0.336 . . . . 0.0 110.189 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp 55.6 76.54 0.27 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.547 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.59 118.47 45.16 Favored Pre-proline 0 N--CA 1.449 -0.517 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.688 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.7 165.56 30.48 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.231 1.954 . . . . 0.0 110.316 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.472 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 34.2 m -58.6 -29.62 39.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -174.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.459 ' O ' HG13 ' B' ' 35' ' ' ILE . 2.9 m-20 -56.43 -65.04 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.529 0.68 . . . . 0.0 110.071 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 mt -68.11 -33.76 75.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.867 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.505 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 43.5 t -62.91 -43.21 99.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.962 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 30' ' ' VAL . 82.9 mt -66.98 -38.42 86.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.508 0.194 . . . . 0.0 110.757 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 31' ' ' ASP . 57.6 mt -64.17 -45.12 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.384 177.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.461 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -57.26 -44.92 84.34 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 176.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' B' ' 33' ' ' SER . 93.5 mt -62.52 -42.17 99.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.416 177.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.66 -44.21 98.13 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.135 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -61.8 -46.52 89.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.813 0.339 . . . . 0.0 110.476 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 15.8 tpt -64.03 -42.19 97.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.923 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.09 91.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.669 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -62.78 -48.94 76.99 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.111 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -54.32 -47.63 72.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.979 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.02 -49.08 76.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.47 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.83 -12.17 61.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 20.8 p -105.02 1.24 28.43 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.06 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -135.13 -43.57 0.72 Allowed 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -178.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.4 m -89.98 9.71 26.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.951 0.405 . . . . 0.0 111.737 -170.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.621 HG12 HD12 ' B' ' 57' ' ' LEU . 34.2 m -98.58 147.8 33.66 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.34 -67.11 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.681 2.254 . . . . 0.0 111.85 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -170.46 -89.07 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.001 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -71.71 -11.51 60.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.339 0.59 . . . . 0.0 110.82 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -81.46 4.25 21.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.479 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' CYS . . . . . 0.453 ' HB3' HG21 ' B' ' 49' ' ' VAL . 11.2 p -57.55 -44.26 85.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.33 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -54.19 -53.35 54.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.232 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.37 86.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.522 -176.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.621 HD12 HG12 ' B' ' 49' ' ' VAL . 86.1 mt -71.98 -36.21 69.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.409 -176.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.17 -50.35 66.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 110.642 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.434 ' OE1' HD12 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -67.36 -31.94 72.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.044 178.472 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.7 83.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.902 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.87 -40.19 87.81 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.024 0.44 . . . . 0.0 110.101 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.72 ' O ' HG12 ' B' ' 66' ' ' ILE . 43.7 t -60.84 -64.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.638 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.72 -43.25 80.42 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.904 -172.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 69.2 p -63.11 -38.73 92.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.809 0.338 . . . . 0.0 110.84 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 tt -71.02 -39.84 72.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.832 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.72 HG12 ' O ' ' B' ' 62' ' ' SER . 20.2 mm -61.11 -46.54 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-O 121.252 0.548 . . . . 0.0 109.95 177.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.432 ' HA ' ' HB2' ' B' ' 70' ' ' LYS . 61.5 t30 -63.79 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.757 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.252 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.0 -44.42 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.824 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.432 ' HB2' ' HA ' ' B' ' 67' ' ' ASN . 23.8 mmtm -54.89 -39.66 68.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.584 176.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 37.1 m -76.39 -26.79 55.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.515 -177.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -78.15 -39.68 40.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 0.0 110.019 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 53.6 tp -71.99 -46.58 56.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.25 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -102.24 97.81 8.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -46.75 125.65 7.53 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.825 0.703 . . . . 0.0 112.523 -171.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -61.75 124.18 20.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.938 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -71.61 155.81 40.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.167 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -121.73 71.26 0.97 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 8.4 t60 68.51 -65.71 0.26 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.409 -170.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 . . . . . 0 C--O 1.243 0.762 0 CA-C-O 118.378 -0.82 . . . . 0.0 109.284 175.399 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tmm? . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.45 -27.21 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.922 0.391 . . . . 0.0 110.56 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -78.37 104.12 8.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.401 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -68.17 92.76 0.41 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.653 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -147.58 113.7 5.84 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.177 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -81.67 -80.58 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -92.54 -53.33 4.24 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 172.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.49 ' HB3' ' CB ' ' A' ' 11' ' ' GLN . 40.0 t -174.06 120.72 0.28 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.247 169.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -69.84 -19.9 63.44 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.44 -35.92 46.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.518 175.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.49 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 59.8 tt0 -64.35 -38.83 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.958 174.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 16' ' ' VAL . 63.0 tp -58.25 -54.77 43.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.474 177.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -35.42 64.91 Favored 'General case' 0 C--O 1.226 -0.137 0 O-C-N 123.069 0.231 . . . . 0.0 111.426 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.53 92.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 0.0 110.655 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.8 mt -64.18 -43.3 97.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.026 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.5 t -71.62 -27.57 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.174 0.512 . . . . 0.0 110.134 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -72.24 -35.29 68.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.454 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.718 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -63.33 -42.26 98.94 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.371 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 16' ' ' VAL . 22.9 mmt -51.6 -47.65 63.51 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.412 0.445 . . . . 0.0 110.809 176.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.93 -41.89 87.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.65 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.573 ' O ' ' HD3' ' A' ' 25' ' ' LYS . . . -66.0 -52.2 51.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.604 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 18' ' ' ASP . 48.4 t -54.9 -40.59 53.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.807 -178.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 28' ' ' ALA . 37.2 tp -67.54 -38.79 84.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.015 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.26 -42.63 65.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.812 -174.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 2.4 mptm? -55.02 -56.29 21.44 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.881 0.372 . . . . 0.0 111.761 -176.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -79.03 -18.1 54.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 tttp 56.08 77.12 0.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.382 -175.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -99.04 120.15 59.11 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.182 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.15 162.69 31.9 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.545 2.163 . . . . 0.0 111.868 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.8 m -55.34 -27.21 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.787 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.503 ' O ' HG13 ' A' ' 35' ' ' ILE . 6.9 m-20 -64.59 -65.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.94 0.4 . . . . 0.0 110.525 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.5 mt -67.17 -34.0 76.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.415 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.45 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 39.2 t -63.69 -42.16 98.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.695 0.283 . . . . 0.0 110.528 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.43 -40.26 89.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.1 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 31' ' ' ASP . 49.3 mt -65.92 -41.73 90.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.5 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.04 -48.17 82.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.447 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 33' ' ' SER . 99.0 mt -62.29 -41.65 98.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.533 177.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.91 -49.62 73.87 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.436 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -60.13 -43.23 95.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.976 0.417 . . . . 0.0 110.612 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.474 ' O ' HD13 ' A' ' 44' ' ' LEU . 54.3 ttp -65.73 -51.37 59.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.059 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.21 -46.96 87.07 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.578 ' HB3' HD22 ' B' ' 65' ' ' LEU . 16.2 p -61.07 -46.26 91.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 110.479 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.63 -47.15 85.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.595 176.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 40' ' ' MET . 4.8 mp -57.98 -49.03 78.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.722 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 97.4 mt -63.9 -30.93 71.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.337 -177.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 p -96.88 11.14 36.92 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.937 -177.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.4 m -134.52 -46.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.446 ' HB3' HG11 ' B' ' 30' ' ' VAL . 17.5 m -82.81 -58.76 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.699 0.285 . . . . 0.0 111.764 -172.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.611 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 28.8 m -84.71 169.81 15.46 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -178.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.724 ' HB2' ' HB3' ' A' ' 53' ' ' GLN . 79.2 Cg_exo -48.7 117.95 3.06 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.63 2.22 . . . . 0.0 111.724 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -53.67 -43.62 69.03 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -169.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -16.55 30.53 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -176.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.724 ' HB3' ' HB2' ' A' ' 50' ' ' PRO . 59.5 tt0 -94.0 -3.98 50.44 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.354 0.597 . . . . 0.0 109.488 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 18.6 p -70.89 -30.05 66.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.205 -175.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.62 ' HG3' HG23 ' B' ' 66' ' ' ILE . 32.4 tt0 -62.44 -37.7 86.89 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.909 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.34 94.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.227 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.86 -40.21 91.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.214 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.79 97.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.812 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -67.06 -37.84 84.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 175.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.41 98.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.501 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -62.83 -38.2 89.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.166 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.654 ' O ' HG12 ' A' ' 66' ' ' ILE . 33.2 t -58.29 -57.77 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.141 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -56.58 -33.13 65.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.264 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.5 m -65.44 -41.23 93.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.254 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 69' ' ' VAL . 92.5 mt -67.92 -39.81 83.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.536 176.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.654 HG12 ' O ' ' A' ' 62' ' ' SER . 23.3 mm -59.98 -42.92 91.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -62.86 -40.0 96.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.611 175.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.26 90.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.611 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.517 HG11 ' HB3' ' B' ' 55' ' ' GLU . 92.7 t -59.38 -47.48 90.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.436 176.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -56.24 -47.98 77.4 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.759 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.7 m -67.56 -19.83 65.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.088 0.47 . . . . 0.0 111.331 -176.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -82.99 -39.57 21.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.948 0.404 . . . . 0.0 110.773 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.9 mt -93.55 -25.59 17.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.987 -175.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -97.6 102.45 14.21 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.101 0.477 . . . . 0.0 109.973 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -97.73 125.87 42.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.314 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -100.03 -156.18 0.54 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.335 -175.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 61.56 39.01 15.17 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.138 0.494 . . . . 0.0 109.7 -177.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -64.77 113.04 3.52 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 121.51 0.672 . . . . 0.0 109.614 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -88.5 -23.62 23.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.91 -172.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.231 -178.715 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.52 -49.1 79.1 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 121.087 0.47 . . . . 0.0 110.124 175.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -73.67 130.4 39.93 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 170.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -93.12 102.29 14.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.263 0.554 . . . . 0.0 111.66 -173.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -97.64 -53.63 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.291 176.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -135.55 79.76 1.8 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.649 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 29.71 78.27 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.497 1.123 . . . . 0.0 113.062 173.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.506 ' HB2' ' HG2' ' B' ' 11' ' ' GLN . 58.8 m -59.17 126.28 27.05 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.573 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.56 -20.72 61.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 171.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.19 -35.9 66.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.637 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.506 ' HG2' ' HB2' ' B' ' 8' ' ' SER . 75.3 mm-40 -67.22 -49.29 65.06 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.691 176.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.673 ' O ' HG23 ' B' ' 16' ' ' VAL . 52.0 tp -59.45 -56.07 26.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.007 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 72.1 p -57.8 -40.86 80.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.365 -174.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.92 -42.99 85.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.906 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.29 -53.86 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.983 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.1 t -63.47 -43.25 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.783 0.325 . . . . 0.0 111.217 -173.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -72.17 -31.99 66.43 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.296 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.733 ' O ' HG23 ' B' ' 22' ' ' VAL . 22.2 t70 -72.45 -42.25 65.2 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 53.1 mtt -54.18 -46.95 72.49 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.471 0.482 . . . . 0.0 110.866 176.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 16' ' ' VAL . 77.0 mt -54.09 -45.96 66.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.991 0.424 . . . . 0.0 110.401 176.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.93 -37.86 85.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.373 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 18' ' ' ASP . 46.7 t -69.35 -38.2 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.699 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.57 -44.21 82.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.714 0.292 . . . . 0.0 110.283 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -58.96 -38.53 79.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.431 0.634 . . . . 0.0 109.655 174.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.502 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 17.7 tppt? -57.99 -32.63 68.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.292 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -93.11 -14.52 27.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.039 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' B' ' 27' ' ' LYS . 66.6 mmtt 54.47 44.73 28.37 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 123.481 0.488 . . . . 0.0 110.825 -177.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.9 123.9 83.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.342 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.37 158.93 37.96 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.296 1.997 . . . . 0.0 111.38 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.446 HG11 ' HB3' ' A' ' 48' ' ' SER . 33.1 m -63.07 -17.42 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.994 0.426 . . . . 0.0 111.013 -178.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.545 ' O ' HG13 ' B' ' 35' ' ' ILE . 18.1 t70 -68.78 -63.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.51 177.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.86 -33.08 71.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.797 -174.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 16.5 p -65.38 -38.72 90.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.799 0.333 . . . . 0.0 111.021 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 68.5 mt -72.68 -32.64 65.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.798 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 31' ' ' ASP . 62.3 mt -67.0 -39.07 82.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.834 0.35 . . . . 0.0 110.212 176.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.424 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -59.46 -46.87 87.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.113 174.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.81 -40.29 92.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.303 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.82 -53.81 42.32 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.422 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -60.25 -42.52 95.47 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.714 0.292 . . . . 0.0 111.009 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.9 ttt -62.42 -50.12 72.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.034 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.94 96.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.523 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 40.6 m -60.01 -49.24 78.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.22 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.32 -35.63 81.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.004 0.431 . . . . 0.0 110.388 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.64 -52.31 58.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.86 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' B' ' 58' ' ' ALA . 96.5 mt -65.07 -26.0 68.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.928 -175.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 15.9 p -89.38 -1.42 58.05 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.4 p -128.19 -44.7 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 17.0 m -89.09 -21.14 23.55 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -169.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.581 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 34.9 m -121.42 166.38 16.43 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.581 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 84.5 Cg_exo -48.06 119.82 4.29 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.941 2.428 . . . . 0.0 112.676 177.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.86 -31.38 72.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.892 -175.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' THR . . . . . 0.514 HG23 ' HG3' ' B' ' 53' ' ' GLN . 12.4 t -86.19 -5.94 59.09 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.386 -177.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.53 ' HB2' ' HB2' ' B' ' 50' ' ' PRO . 76.9 mt-30 -126.45 6.0 6.93 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.739 -177.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 17.7 p -67.62 -31.4 71.4 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.732 -177.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.517 ' HB3' HG11 ' A' ' 69' ' ' VAL . 10.4 pt-20 -63.9 -34.58 78.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.992 0.425 . . . . 0.0 110.518 176.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.43 -44.31 71.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.303 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' B' ' 57' ' ' LEU . 4.3 mm? -66.86 -40.43 87.87 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.101 179.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.472 ' HB2' HD13 ' B' ' 45' ' ' LEU . . . -62.05 -45.5 93.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.104 0.478 . . . . 0.0 110.624 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -64.15 -40.58 96.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.292 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.25 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.146 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.469 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 80.3 t80 -55.65 -43.72 76.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.079 0.466 . . . . 0.0 110.191 178.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.692 ' O ' HG12 ' B' ' 66' ' ' ILE . 47.3 t -61.86 -51.38 68.45 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.64 176.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -55.42 -42.95 74.83 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.759 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 50.8 m -59.06 -38.14 78.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.569 177.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' A' ' 42' ' ' SER . 80.4 mt -73.54 -38.58 65.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.692 HG12 ' O ' ' B' ' 62' ' ' SER . 49.2 mm -54.76 -49.32 69.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.448 0.642 . . . . 0.0 110.359 178.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -70.36 -32.25 69.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.702 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.25 86.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.734 0.302 . . . . 0.0 110.625 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 65' ' ' LEU . 75.5 t -57.49 -51.51 68.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.027 0.442 . . . . 0.0 109.844 174.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -58.71 -34.27 71.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.766 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 61.9 m -67.21 -34.15 76.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.556 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -87.6 -37.93 16.38 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.172 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 89.7 mt -78.54 -11.86 59.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.926 0.393 . . . . 0.0 111.332 -178.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -71.42 150.65 44.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.49 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -77.32 73.4 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.958 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -67.49 -67.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.252 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -144.2 -50.89 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.899 0.38 . . . . 0.0 111.12 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -125.0 154.15 41.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.506 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -144.34 -32.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.442 -0.79 . . . . 0.0 109.676 176.253 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.11 98.22 0.1 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.457 0.539 . . . . 0.0 112.457 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -121.94 -50.46 2.05 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 170.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -87.55 145.21 26.32 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 171.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m 60.62 52.95 4.24 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.485 0.66 . . . . 0.0 109.275 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -81.21 58.95 3.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.984 -173.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 60.9 42.62 12.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.837 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 p -59.87 113.38 2.26 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.635 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.11 -14.39 47.95 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.93 -45.8 40.06 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.367 176.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 15' ' ' ILE . 22.0 mt-30 -76.88 -34.27 57.78 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.621 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.5 tp -60.15 -59.84 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.24 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 m -59.68 -32.3 70.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.202 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.443 ' O ' ' HB3' ' A' ' 17' ' ' ASN . . . -58.79 -45.78 89.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.575 0.226 . . . . 0.0 110.913 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 11' ' ' GLN . 70.2 mt -65.73 -47.98 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -66.22 -23.67 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.056 0.455 . . . . 0.0 109.888 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' A' ' 14' ' ' ALA . 25.2 t-20 -66.21 -50.9 62.27 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.068 177.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.806 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.5 p30 -75.88 -22.17 56.41 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.622 -177.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.0 mtt -56.96 -43.49 81.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.894 0.378 . . . . 0.0 110.127 169.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.14 -44.7 92.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.82 175.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . -60.93 -37.84 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.109 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 18' ' ' ASP . 43.2 t -61.74 -41.51 90.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-O 121.118 0.485 . . . . 0.0 110.224 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.87 -38.79 92.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.831 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.6 -21.93 59.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.75 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 63.0 mttp -75.65 -24.95 56.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.709 0.29 . . . . 0.0 111.336 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -110.26 -33.59 6.61 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.098 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 53.04 78.11 0.15 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.359 0.664 . . . . 0.0 112.427 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.5 148.74 35.64 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.833 176.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HD2' HD12 ' A' ' 32' ' ' LEU . 65.6 Cg_endo -73.26 43.31 0.72 Allowed 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.23 2.62 . . . . 0.0 113.979 -175.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.3 t 72.96 -54.78 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 123.659 0.784 . . . . 0.0 112.078 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.497 ' O ' HG13 ' A' ' 35' ' ' ILE . 23.6 t70 -61.02 -54.63 42.47 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.57 -176.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.516 HD23 HD12 ' A' ' 35' ' ' ILE . 97.8 mt -59.16 -32.03 69.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.152 177.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 m -63.99 -41.99 97.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.122 0.487 . . . . 0.0 110.172 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 99.3 mt -70.55 -30.53 67.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.73 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.516 HD12 HD23 ' A' ' 32' ' ' LEU . 60.7 mt -68.6 -40.51 81.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.49 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.432 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.43 -43.79 96.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 110.091 175.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' B' ' 37' ' ' LEU . 52.3 tp -66.08 -39.74 90.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.444 177.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.62 -43.45 99.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.296 -0.478 . . . . 0.0 112.448 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -60.19 -42.65 95.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.413 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.5 ttt -63.85 -48.07 78.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.596 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.29 -51.3 67.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.011 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.6 m -59.08 -45.42 90.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.862 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -60.32 -55.48 33.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.303 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.12 -40.09 92.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.736 -175.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.2 mt -69.36 -30.2 68.16 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -177.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.1 p -93.88 4.71 53.52 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.9 -177.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.0 p -126.85 -47.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.7 m -83.99 -45.01 13.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.734 0.302 . . . . 0.0 111.689 -171.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.7 m -101.88 164.77 15.18 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.346 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.47 127.66 26.32 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.222 1.948 . . . . 0.0 111.635 175.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.581 ' HB3' HD21 ' B' ' 73' ' ' LEU . 25.0 mp0 -60.37 -37.36 80.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.977 -176.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.7 t -75.37 -14.13 60.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.133 0.492 . . . . 0.0 111.058 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.462 ' HG3' HD23 ' A' ' 57' ' ' LEU . 6.0 tp-100 -102.33 -27.17 12.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.872 -175.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.1 p -61.96 -29.81 70.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.552 -175.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.76 -43.94 90.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.967 0.413 . . . . 0.0 110.722 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.25 -44.6 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.61 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.462 HD23 ' HG3' ' A' ' 53' ' ' GLN . 4.4 mm? -63.7 -46.96 83.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.336 -179.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.73 97.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 110.975 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -64.58 -45.06 88.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.329 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.33 97.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.897 178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.515 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 44.4 t80 -60.91 -45.42 94.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.146 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.573 ' O ' HG12 ' A' ' 66' ' ' ILE . 25.4 m -64.29 -46.78 82.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -62.14 -33.77 75.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.311 . . . . 0.0 110.986 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -67.29 -35.52 79.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 69' ' ' VAL . 87.2 mt -67.32 -36.83 82.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.056 174.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 62' ' ' SER . 39.2 mm -58.23 -44.71 88.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.219 0.533 . . . . 0.0 109.683 175.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -62.96 -37.36 86.8 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.618 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.05 -40.66 91.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.605 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 65' ' ' LEU . 94.4 t -59.22 -46.21 92.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.515 176.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 66' ' ' ILE . 63.6 mttm -54.85 -46.13 74.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.095 0.474 . . . . 0.0 109.733 176.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.0 m -67.44 -26.83 66.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.272 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.532 ' HG3' HG21 ' B' ' 46' ' ' THR . 13.7 mmt180 -73.86 -41.48 62.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.791 0.329 . . . . 0.0 110.603 176.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.3 mp -68.66 -40.17 80.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 70' ' ' LYS . 44.9 mm-40 -70.31 -67.27 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.344 0.592 . . . . 0.0 110.157 176.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -87.64 70.09 9.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.768 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -80.73 148.35 30.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.305 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.7 13.97 1.17 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 112.164 -170.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.6 m170 69.02 -71.92 0.11 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.409 0.684 . . . . 0.0 110.449 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -102.43 -176.93 3.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.803 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 . . . . . 0 C--O 1.242 0.707 0 CA-C-O 119.018 -0.515 . . . . 0.0 109.925 177.792 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.247 0.546 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' B' ' 5' ' ' SER . . . -151.07 120.07 6.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.197 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -100.07 -35.4 9.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.78 0.324 . . . . 0.0 111.266 -176.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -105.24 14.65 28.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.64 0.257 . . . . 0.0 111.595 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.432 ' HB3' ' HB1' ' B' ' 2' ' ' ALA . 9.3 t -103.43 97.96 7.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.146 0.498 . . . . 0.0 110.532 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -132.47 14.29 4.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.021 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 64.65 80.01 0.24 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.085 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.509 ' HB2' ' HB3' ' B' ' 11' ' ' GLN . 16.2 m -93.28 118.32 31.13 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.37 -26.06 51.58 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.53 -37.99 55.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.936 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.509 ' HB3' ' HB2' ' B' ' 8' ' ' SER . 34.3 tt0 -73.08 -43.87 61.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.992 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.61 ' O ' HG23 ' B' ' 16' ' ' VAL . 51.8 tp -61.69 -51.76 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.714 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 27.0 p -57.23 -40.98 78.63 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.956 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.67 -39.53 77.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.686 0.279 . . . . 0.0 111.341 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.52 -53.53 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.212 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.2 t -70.28 -33.04 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 111.208 -174.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -69.12 -43.37 74.58 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.756 ' O ' HG23 ' B' ' 22' ' ' VAL . 27.0 t70 -65.73 -42.17 91.34 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.459 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 10.5 tpt -47.57 -50.57 23.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.247 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.435 HG13 ' O ' ' B' ' 16' ' ' VAL . 70.7 mt -63.41 -43.63 98.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -62.56 -38.61 90.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.708 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.756 HG23 ' O ' ' B' ' 18' ' ' ASP . 61.5 t -60.79 -43.39 95.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.375 176.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 19' ' ' MET . 91.5 mt -69.31 -25.54 64.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.285 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -78.63 -32.0 47.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.697 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 99.1 mttt -64.17 -40.18 95.58 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.19 0.519 . . . . 0.0 110.441 175.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -85.0 -20.46 30.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.627 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 tptp 60.03 80.08 0.22 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.778 -176.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.13 120.71 60.75 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.913 177.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.04 33.62 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.178 2.585 . . . . 0.0 113.801 -172.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 71.8 t 70.1 -53.32 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 123.574 0.749 . . . . 0.0 111.929 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -55.12 -65.96 0.49 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.171 0.588 . . . . 0.0 111.235 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.439 HD13 HD12 ' B' ' 35' ' ' ILE . 4.0 mm? -60.8 -26.72 67.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.371 176.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -68.24 -41.23 81.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.776 0.322 . . . . 0.0 110.16 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.615 HD23 HD21 ' B' ' 37' ' ' LEU . 93.8 mt -64.41 -37.97 89.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.439 HD12 HD13 ' B' ' 32' ' ' LEU . 55.7 mt -66.46 -39.22 83.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.516 176.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.37 -49.03 75.46 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.997 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.615 HD21 HD23 ' B' ' 34' ' ' LEU . 4.6 pp -69.46 -25.42 64.08 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.627 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.2 -47.49 71.87 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.448 173.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -60.66 -41.98 96.1 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.048 0.451 . . . . 0.0 110.013 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 54.0 tpp -60.19 -52.16 66.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.915 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.88 -46.55 74.79 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.125 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 24.6 m -56.07 -54.63 42.74 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.878 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.45 -49.28 77.89 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.232 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 63.4 mt -60.1 -43.04 95.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.918 0.39 . . . . 0.0 111.292 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.561 ' HB3' ' SG ' ' B' ' 54' ' ' CYS . 89.7 mt -72.74 -14.36 61.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.866 -178.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.532 HG21 ' HG3' ' A' ' 72' ' ' ARG . 19.8 p -110.61 -0.16 17.35 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.096 -0.641 . . . . 0.0 112.689 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 77.5 p -125.61 -28.81 3.24 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 21.6 m -107.78 -43.25 4.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -171.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.877 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 23.5 m -90.68 174.28 4.73 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.877 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 19.9 Cg_endo -60.9 101.6 0.18 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.0 1.8 . . . . 0.0 111.565 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.422 ' CD ' ' H ' ' B' ' 51' ' ' GLN . 0.0 OUTLIER -64.07 -30.68 71.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.08 -177.158 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 12.3 t -75.08 -11.76 60.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -123.33 10.43 9.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.191 0.52 . . . . 0.0 109.92 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' CYS . . . . . 0.561 ' SG ' ' HB3' ' B' ' 45' ' ' LEU . 40.1 t -57.82 -40.2 79.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.274 -173.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -55.79 -46.64 77.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.023 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.26 -46.38 83.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.274 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.9 -47.98 78.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.295 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.71 83.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.12 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -68.47 -32.64 72.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.005 0.431 . . . . 0.0 110.617 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.01 -46.54 51.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.631 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -59.26 -45.33 91.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.603 ' O ' HG12 ' B' ' 66' ' ' ILE . 6.8 p -62.96 -56.85 13.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.751 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -58.74 -41.4 86.36 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 68.6 m -66.16 -34.66 78.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.997 0.427 . . . . 0.0 110.518 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.422 ' O ' HG23 ' B' ' 69' ' ' VAL . 41.5 tp -64.79 -38.7 91.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.331 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.603 HG12 ' O ' ' B' ' 62' ' ' SER . 28.3 mm -59.61 -41.77 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.191 0.52 . . . . 0.0 109.926 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -65.64 -36.77 84.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.287 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.5 99.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.666 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 65' ' ' LEU . 98.3 t -57.15 -47.82 83.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.433 175.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -61.6 -33.4 73.84 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.128 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 22.4 m -74.2 -15.04 61.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.395 0.617 . . . . 0.0 110.761 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -87.64 -26.61 22.94 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 176.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 51' ' ' GLN . 4.6 mm? -90.77 -31.18 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.022 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -98.31 141.08 31.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.949 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -75.38 116.42 16.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.088 0.471 . . . . 0.0 111.058 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -73.11 144.02 47.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.028 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -140.69 134.76 30.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.356 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -121.77 -49.92 2.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.536 -171.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -82.72 143.79 30.66 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 27.0 m80 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.761 179.677 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 121.238 0.542 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.49 -16.65 59.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.586 177.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -84.38 100.58 11.38 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.866 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -149.87 39.76 0.79 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.032 0.444 . . . . 0.0 110.38 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -124.72 174.99 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.139 0.495 . . . . 0.0 111.281 -177.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -178.55 -67.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -107.75 -72.34 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 161.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.568 ' HB2' ' HG2' ' A' ' 11' ' ' GLN . 74.2 m -165.54 109.17 0.83 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.419 -1.264 . . . . 0.0 108.311 172.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -66.89 -21.5 66.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.55 82.43 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.655 174.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.568 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 27.7 mm-40 -61.5 -49.31 77.26 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.707 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.4 tp -57.16 -60.94 2.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.796 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -54.34 -41.67 69.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.886 -175.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.76 98.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 11' ' ' GLN . 69.1 mt -68.27 -46.57 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.239 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.2 t -63.04 -39.66 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -64.79 -38.58 91.47 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.105 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.684 ' O ' HG23 ' A' ' 22' ' ' VAL . 38.1 t70 -63.76 -50.59 68.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -43.95 64.47 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.344 0.402 . . . . 0.0 111.415 178.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 16' ' ' VAL . 80.7 mt -62.99 -47.01 94.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.689 0.281 . . . . 0.0 110.81 178.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.93 99.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.978 0.418 . . . . 0.0 111.033 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 18' ' ' ASP . 45.4 t -66.18 -37.98 80.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.289 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 33' ' ' SER . 63.5 tp -63.18 -48.3 78.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.21 176.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.92 -35.54 78.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.314 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -61.45 -29.55 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.854 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -89.49 -18.41 26.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.142 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.683 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER 62.58 32.2 16.54 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.665 178.173 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.16 120.91 82.97 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.85 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.88 175.84 3.44 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.767 2.311 . . . . 0.0 112.008 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.78 -20.58 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-O 121.076 0.465 . . . . 0.0 111.135 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.638 ' O ' HG12 ' A' ' 35' ' ' ILE . 2.4 m-20 -68.74 -73.51 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.137 0.494 . . . . 0.0 110.112 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.0 -36.67 70.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.598 -174.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.453 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 20.4 p -63.04 -44.08 96.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.689 0.281 . . . . 0.0 110.95 -177.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.92 -28.87 64.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.056 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 31' ' ' ASP . 24.1 mm -65.15 -48.08 85.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.475 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -60.46 -45.65 92.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.713 177.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 33' ' ' SER . 90.1 mt -63.79 -35.16 79.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.86 -42.08 99.75 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.089 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -66.99 -41.98 85.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.096 0.474 . . . . 0.0 110.024 177.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.5 ttt -64.45 -46.47 82.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.243 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.46 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.67 -51.21 70.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.467 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 p -65.23 -41.13 94.69 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 120.911 0.386 . . . . 0.0 111.167 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -60.44 -42.56 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.296 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.99 -44.75 75.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 94.4 mt -62.58 -18.62 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 111.595 -177.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.44 ' CG2' HG13 ' B' ' 69' ' ' VAL . 8.9 p -103.98 9.25 36.68 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.071 177.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.8 m -134.77 -47.4 0.74 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -175.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.5 p -91.74 -29.33 16.87 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -169.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.6 m -105.99 152.52 40.33 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.06 123.39 13.73 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.4 2.067 . . . . 0.0 111.705 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -60.0 -21.96 61.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.631 -176.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.6 m -76.45 -26.6 55.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.078 0.466 . . . . 0.0 110.949 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -114.62 7.58 16.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.136 0.493 . . . . 0.0 110.384 -174.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.4 p -58.23 -40.93 82.98 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.394 -175.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' A' ' 59' ' ' GLN . 43.8 tt0 -61.84 -34.96 76.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.667 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.0 69.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.634 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.97 -50.21 74.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.177 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.09 -30.77 70.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.108 0.48 . . . . 0.0 111.24 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.553 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 5.9 tt0 -76.44 -31.26 57.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.44 -178.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.7 -40.56 55.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.52 176.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -57.83 -46.42 84.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.526 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.697 ' O ' HG12 ' A' ' 66' ' ' ILE . 4.1 p -65.97 -45.11 82.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.069 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -55.0 -39.42 69.04 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.695 0.283 . . . . 0.0 111.496 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.0 m -60.88 -44.13 97.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.31 0.576 . . . . 0.0 110.028 176.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . 96.4 mt -65.1 -39.23 92.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.012 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.697 HG12 ' O ' ' A' ' 62' ' ' SER . 28.4 mm -61.61 -37.75 78.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 120.914 0.388 . . . . 0.0 110.426 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.0 -36.36 84.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.519 176.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.24 85.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.191 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' LEU . 51.5 t -63.39 -38.07 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.294 176.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.89 -42.11 79.28 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.6 176.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.2 m -66.06 -32.68 74.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.816 0.341 . . . . 0.0 110.738 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.772 ' NH1' ' HA ' ' B' ' 46' ' ' THR . 24.6 mmm-85 -59.36 -53.65 55.8 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.428 0.633 . . . . 0.0 110.168 173.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.0 mt -67.31 -50.28 60.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.374 -176.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -128.98 100.73 5.77 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.476 0.655 . . . . 0.0 111.832 -175.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -77.28 98.83 5.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.169 174.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -78.84 163.11 25.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.377 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -79.67 87.74 5.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.065 0.46 . . . . 0.0 110.972 -173.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -102.55 95.31 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.586 175.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -166.63 118.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.459 -176.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 75.2 t60 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.248 -0.882 . . . . 0.0 109.705 178.165 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.652 0.263 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.49 89.69 7.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.997 0.427 . . . . 0.0 110.817 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -117.15 -3.21 11.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.576 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -126.27 132.21 51.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.772 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -65.6 112.67 3.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 110.325 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -123.12 13.67 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.403 0.62 . . . . 0.0 110.135 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 60.16 37.74 20.59 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.518 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.403 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 31.4 t -64.26 146.97 53.46 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.822 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.17 -25.94 68.05 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 172.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.47 -31.63 37.28 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.399 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.403 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 49.4 tt0 -70.36 -45.73 65.51 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 109.123 176.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.668 ' O ' HG23 ' B' ' 16' ' ' VAL . 61.5 tp -62.13 -53.6 53.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.858 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 74.5 p -55.9 -38.32 70.06 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.669 0.271 . . . . 0.0 110.845 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.66 -48.72 76.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.371 176.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 67.3 mt -66.56 -48.08 81.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.547 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 12' ' ' LEU . 3.3 t -63.46 -45.49 97.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -69.23 -25.53 64.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.944 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.723 ' O ' HG23 ' B' ' 22' ' ' VAL . 18.7 t0 -70.46 -45.68 65.29 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 177.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 64.6 mtt -57.43 -38.29 74.14 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.005 176.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 16' ' ' VAL . 68.7 mt -61.81 -39.95 85.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.181 176.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.28 75.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.452 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.723 HG23 ' O ' ' B' ' 18' ' ' ASP . 27.6 t -57.21 -49.18 80.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.28 0.562 . . . . 0.0 109.776 175.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.44 -43.45 98.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.751 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -69.41 -26.23 64.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.958 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -64.07 -36.04 82.71 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.155 0.502 . . . . 0.0 110.258 176.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -85.56 -32.76 21.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.221 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.4 tttp 56.62 67.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.829 -168.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -79.57 128.98 73.09 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.021 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.547 ' HD2' ' HB2' ' B' ' 32' ' ' LEU . 31.2 Cg_exo -58.99 160.16 19.34 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.731 2.287 . . . . 0.0 111.711 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 32.7 t -56.71 -31.45 35.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.99 0.424 . . . . 0.0 111.014 -176.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.502 ' O ' HG13 ' B' ' 35' ' ' ILE . 0.5 OUTLIER -76.11 -61.31 1.98 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.333 177.743 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.547 ' HB2' ' HD2' ' B' ' 29' ' ' PRO . 53.4 mt -56.31 -38.84 71.81 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.2 p -62.85 -44.4 96.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.759 0.314 . . . . 0.0 111.416 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.7 -34.21 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.921 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 31' ' ' ASP . 56.2 mt -69.63 -37.2 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.778 0.323 . . . . 0.0 110.405 178.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.429 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -62.36 -46.37 88.97 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 120.855 0.36 . . . . 0.0 110.046 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.17 -42.74 95.61 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.87 -52.56 52.53 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.605 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -58.0 -41.75 83.73 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 111.16 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 45.4 ttp -66.33 -47.58 73.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.74 -46.3 88.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.3 t -59.12 -43.81 91.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.754 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -59.56 -38.77 81.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.81 -44.54 55.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.8 0.333 . . . . 0.0 110.936 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.554 ' HB3' ' SG ' ' B' ' 54' ' ' CYS . 96.6 mt -63.49 -27.77 69.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.446 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.772 ' HA ' ' NH1' ' A' ' 72' ' ' ARG . 33.8 p -94.62 0.76 55.4 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.865 -174.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 22.7 p -122.8 -47.36 2.07 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 11.6 m -100.86 -5.17 26.51 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -170.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.433 HG21 HD23 ' B' ' 45' ' ' LEU . 39.0 t -113.9 128.4 25.8 Favored Pre-proline 0 C--N 1.326 -0.446 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.956 -177.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.66 152.31 13.07 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.363 2.709 . . . . 0.0 112.629 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -52.6 -64.31 0.86 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.436 -173.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 9.7 t -76.35 -22.37 54.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.766 0.317 . . . . 0.0 111.233 -172.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 8.6 tt0 -74.75 -35.65 62.61 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' B' ' 45' ' ' LEU . 34.7 t -56.87 -44.85 82.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.621 -176.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -64.75 -45.32 86.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 111.032 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.04 -30.07 58.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.468 -174.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 10.3 tp -72.15 -41.48 67.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.558 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.08 96.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.545 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -66.05 -34.46 78.12 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.05 -44.11 63.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.79 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -61.83 -43.5 98.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.751 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.646 ' O ' HG12 ' B' ' 66' ' ' ILE . 29.4 p -63.6 -53.57 49.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -60.43 -32.8 71.71 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -64.1 -44.04 93.5 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 80.4 mt -67.93 -33.37 74.54 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.646 HG12 ' O ' ' B' ' 62' ' ' SER . 50.9 mm -55.53 -50.19 68.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.011 0.434 . . . . 0.0 110.221 176.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -75.93 -27.21 57.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.742 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.11 -49.44 72.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.44 HG13 ' CG2' ' A' ' 46' ' ' THR . 76.9 t -62.06 -41.98 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.155 175.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' B' ' 70' ' ' LYS . 38.1 ttmt -55.25 -54.0 48.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.193 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.7 m -75.64 -13.81 60.34 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.382 0.611 . . . . 0.0 110.991 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' B' ' 72' ' ' ARG . 23.4 ttt85 -84.11 -28.98 27.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.069 176.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 56.3 tp -83.63 -39.79 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.192 176.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -80.75 77.52 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.569 0.7 . . . . 0.0 110.977 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -74.92 99.09 3.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.781 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -157.97 79.87 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.814 0.34 . . . . 0.0 111.026 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -138.1 103.34 4.92 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 173.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -152.46 16.54 0.61 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.01 0.433 . . . . 0.0 110.256 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -177.28 -35.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 11.4 p80 . . . . . 0 C--O 1.245 0.858 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 173.752 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.889 0.375 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.32 160.08 41.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.201 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.415 ' H ' ' HG2' ' A' ' 3' ' ' GLN . 18.7 pt20 -92.1 131.22 37.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.912 0.387 . . . . 0.0 110.45 176.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -155.42 92.5 1.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.903 -174.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 m -146.8 143.6 28.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.747 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -125.97 -81.19 0.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.425 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -84.95 -81.54 0.19 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.7 m -153.33 93.72 1.74 Allowed 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 174.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -73.05 -12.26 60.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.14 0.495 . . . . 0.0 110.66 -175.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.26 -38.24 31.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 15' ' ' ILE . 20.9 tp60 -62.63 -37.26 85.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.61 172.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.584 ' O ' HG23 ' A' ' 16' ' ' VAL . 41.1 tp -54.85 -52.76 61.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.283 174.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.2 m -55.23 -37.83 67.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.238 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.97 -33.78 76.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 11' ' ' GLN . 71.8 mt -72.34 -45.77 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.979 0.419 . . . . 0.0 110.249 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.7 t -68.17 -36.31 74.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.939 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -60.75 -43.43 97.97 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.161 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.744 ' O ' HG23 ' A' ' 22' ' ' VAL . 31.5 t0 -66.13 -46.37 77.74 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 43.3 ttm -51.22 -44.79 61.72 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.368 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 16' ' ' VAL . 78.3 mt -63.24 -41.98 94.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.758 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.23 -41.38 90.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 18' ' ' ASP . 29.0 t -60.86 -45.98 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.05 177.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 28' ' ' ALA . 56.3 tp -60.34 -47.16 87.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.044 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -66.31 -26.19 67.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.692 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -70.14 -42.75 72.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.388 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -92.78 -2.51 55.9 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 60.46 89.42 0.07 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.261 0.553 . . . . 0.0 112.365 175.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.444 ' HB2' HD13 ' B' ' 15' ' ' ILE . . . -127.99 111.31 20.15 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.017 173.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' HD12 ' A' ' 32' ' ' LEU . 19.2 Cg_endo -60.86 168.06 7.74 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.757 2.304 . . . . 0.0 111.965 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -54.2 -27.64 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 121.02 0.438 . . . . 0.0 111.933 -175.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.536 ' O ' HG13 ' A' ' 35' ' ' ILE . 31.2 t70 -75.03 -61.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.451 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 29' ' ' PRO . 69.5 mt -59.59 -39.54 84.49 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 p -64.58 -40.16 95.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 110.574 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tt -64.76 -35.76 82.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.679 177.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 31' ' ' ASP . 65.6 mt -66.29 -40.62 87.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.711 177.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.528 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -59.99 -50.49 73.54 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 110.514 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.81 -42.69 94.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.741 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.12 -51.59 56.53 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.768 177.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -58.21 -45.45 87.62 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.883 0.373 . . . . 0.0 110.997 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.9 ttt -62.73 -48.02 81.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.842 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.75 84.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.32 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -59.06 -52.89 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.401 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -60.46 -38.05 82.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.162 0.506 . . . . 0.0 111.131 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.49 -52.32 33.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.468 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.63 -27.07 68.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.867 0.365 . . . . 0.0 111.466 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.2 p -92.13 14.18 16.83 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.964 0.411 . . . . 0.0 111.34 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.1 m -136.01 -51.27 0.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.861 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.3 p -81.13 -68.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -170.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.69 143.54 75.67 Favored Pre-proline 0 C--O 1.235 0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.407 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.12 115.54 1.77 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.453 2.769 . . . . 0.0 112.296 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.424 ' HA ' ' HB2' ' A' ' 54' ' ' CYS . 29.2 pt20 -56.7 -34.49 67.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.747 -175.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.7 m -59.54 -33.91 71.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.527 -176.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -122.95 21.43 9.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.872 0.368 . . . . 0.0 110.455 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 51' ' ' GLN . 52.8 t -59.58 -49.09 79.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.627 -175.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -62.39 -31.44 72.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.938 0.399 . . . . 0.0 111.327 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.24 -41.63 66.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.404 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.1 mt -67.87 -36.81 80.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.596 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.25 97.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.716 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -65.97 -35.3 80.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.97 95.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -67.98 -47.01 69.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.65 ' O ' HG12 ' A' ' 66' ' ' ILE . 67.7 p -61.78 -52.8 62.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.049 -177.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.38 -36.9 76.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.691 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.3 m -62.58 -39.22 93.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.278 177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 69' ' ' VAL . 90.9 mt -67.2 -42.62 83.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.323 176.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.65 HG12 ' O ' ' A' ' 62' ' ' SER . 28.2 mm -57.99 -45.83 87.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.239 0.543 . . . . 0.0 110.581 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -79.01 -21.85 46.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.041 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.594 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -67.14 -42.26 84.69 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 174.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 65' ' ' LEU . 95.7 t -59.9 -45.23 95.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.003 175.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HZ2' HG22 ' A' ' 66' ' ' ILE . 63.1 mttp -56.33 -39.2 72.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.906 176.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.1 m -71.14 -23.16 62.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 22.1 mmt180 -80.06 -24.65 40.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.138 0.494 . . . . 0.0 109.939 176.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.4 mt -89.21 -41.02 12.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.611 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.56 157.06 33.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.231 -176.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -121.75 145.39 48.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -112.93 133.99 54.64 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.298 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -124.86 170.33 11.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.534 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.0 t60 65.27 86.12 0.13 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.687 0.617 . . . . 0.0 111.816 169.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -85.07 -24.86 27.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 110.799 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.4 t60 . . . . . 0 C--O 1.245 0.836 0 CA-C-O 118.38 -0.819 . . . . 0.0 110.029 178.942 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 85.9 mmm . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.793 0.33 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.73 144.3 50.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.919 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' B' ' 4' ' ' HIS . 18.6 mm-40 -100.34 156.02 17.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' B' ' 3' ' ' GLN . 71.0 m-70 70.7 -74.35 0.09 Allowed 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.783 0.677 . . . . 0.0 110.305 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -85.15 91.41 8.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 176.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -78.89 55.53 1.76 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.078 -175.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 57.91 56.25 4.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.321 -176.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.469 ' HB2' ' HB2' ' B' ' 11' ' ' GLN . 1.2 m -66.35 108.82 2.47 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.72 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -59.76 -18.71 45.3 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 174.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.88 38.49 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.862 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.469 ' HB2' ' HB2' ' B' ' 8' ' ' SER . 14.1 mm100 -68.85 -41.42 78.47 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.394 177.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.726 ' O ' HG23 ' B' ' 16' ' ' VAL . 42.8 tp -60.13 -57.74 11.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.187 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 48.0 m -53.01 -40.95 64.21 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.375 0.422 . . . . 0.0 111.31 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.77 -43.61 98.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.204 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.633 ' HA ' ' OD2' ' B' ' 18' ' ' ASP . 64.1 mt -74.83 -36.92 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.633 -176.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.726 HG23 ' O ' ' B' ' 12' ' ' LEU . 3.2 t -65.46 -33.48 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -72.66 -26.6 61.69 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.946 176.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.633 ' OD2' ' HA ' ' B' ' 15' ' ' ILE . 43.6 m-20 -58.38 -58.35 8.91 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.65 -47.75 63.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.337 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.41 -50.3 73.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.457 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.673 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -67.01 -43.44 82.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -174.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 18' ' ' ASP . 94.2 t -63.6 -43.46 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.747 0.308 . . . . 0.0 110.833 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.72 -30.12 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.807 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -66.01 -38.79 89.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.44 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 39.4 mmtm -63.33 -41.03 98.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.293 -177.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -82.2 -24.33 34.98 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.513 ' HB2' ' NZ ' ' B' ' 27' ' ' LYS . 2.2 ttmp? 58.36 79.53 0.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.85 174.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' B' ' 32' ' ' LEU . . . -90.34 138.97 26.81 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.002 175.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.67 51.48 2.67 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.186 2.591 . . . . 0.0 113.767 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 81.7 t 73.49 -50.72 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 123.083 0.553 . . . . 0.0 112.094 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.556 ' O ' HG13 ' B' ' 35' ' ' ILE . 23.3 m-20 -51.48 -66.07 0.45 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.081 0.467 . . . . 0.0 110.957 -178.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.481 ' HB2' ' HB1' ' B' ' 28' ' ' ALA . 95.4 mt -62.04 -34.71 76.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.144 -177.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -60.62 -45.67 93.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.289 0.566 . . . . 0.0 110.365 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.03 -40.7 71.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.706 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.556 HG13 ' O ' ' B' ' 31' ' ' ASP . 52.5 mt -67.81 -33.95 64.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.906 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.434 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -60.45 -45.99 91.68 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.985 0.421 . . . . 0.0 109.959 174.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.74 -37.22 85.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.497 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.96 -46.29 94.88 Favored Glycine 0 C--N 1.33 0.212 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.316 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -59.09 -42.41 90.38 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.602 0.239 . . . . 0.0 110.634 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 85.8 mmm -62.22 -51.18 68.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.18 -46.52 79.34 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.107 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.2 t -61.82 -54.74 38.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.552 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -57.4 -43.48 83.77 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.385 -175.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 mt -64.89 -43.82 91.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.023 0.44 . . . . 0.0 111.772 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.514 ' HA ' HG22 ' B' ' 49' ' ' VAL . 98.1 mt -80.18 -9.42 59.72 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.701 -175.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.528 HG21 ' HG3' ' A' ' 72' ' ' ARG . 30.0 p -112.73 3.33 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.72 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 10.7 m -140.53 -34.76 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -176.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.7 m -93.85 -50.07 5.53 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.71 -172.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' B' ' 45' ' ' LEU . 34.7 m -89.79 158.94 44.3 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 121.234 -0.186 . . . . 0.0 110.933 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -53.8 128.07 28.1 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.683 2.255 . . . . 0.0 111.925 176.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.423 ' HA ' ' SG ' ' B' ' 54' ' ' CYS . 77.8 mt-30 -74.95 2.15 11.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.997 -173.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 10.8 m -96.08 -32.7 12.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.26 0.553 . . . . 0.0 110.511 174.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -100.47 -9.37 22.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.153 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' B' ' 51' ' ' GLN . 19.6 p -61.53 -48.43 81.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.452 -174.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.504 ' HG3' HG23 ' A' ' 66' ' ' ILE . 39.7 tt0 -61.82 -36.2 80.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.689 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.24 -53.23 39.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.127 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.81 -37.97 89.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.25 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.93 92.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.871 0.367 . . . . 0.0 111.146 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.475 ' NE2' ' HG2' ' B' ' 55' ' ' GLU . 47.6 mt-30 -69.36 -48.23 61.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.615 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.83 85.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.773 0.32 . . . . 0.0 111.573 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -65.11 -49.27 70.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.56 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.598 ' O ' HG12 ' B' ' 66' ' ' ILE . 16.2 p -66.22 -38.7 88.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.141 -178.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -59.21 -43.13 92.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.808 -0.178 . . . . 0.0 111.275 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 95.4 p -64.16 -33.4 75.7 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.624 -0.431 . . . . 0.0 109.936 178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.445 ' O ' HG23 ' B' ' 69' ' ' VAL . 93.7 mt -68.44 -37.72 80.51 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.552 176.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.598 HG12 ' O ' ' B' ' 62' ' ' SER . 39.9 mm -56.92 -48.52 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 121.288 0.566 . . . . 0.0 109.787 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -64.48 -39.39 93.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.575 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' B' ' 72' ' ' ARG . . . -61.91 -47.73 83.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 178.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 65' ' ' LEU . 70.4 t -57.44 -46.88 85.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.832 0.349 . . . . 0.0 110.644 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.18 -34.77 74.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 25.4 m -79.4 -19.85 49.04 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.204 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' B' ' 68' ' ' ALA . 12.3 mmm-85 -81.47 -43.84 18.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 87.0 mt -73.33 -43.88 59.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.616 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 57.13 85.49 0.08 Allowed 'General case' 0 C--N 1.335 -0.061 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.431 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -96.95 113.49 25.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.009 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -85.74 -167.09 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.442 -176.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -58.82 134.76 57.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.105 0.479 . . . . 0.0 111.432 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.49 174.98 3.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.921 178.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -71.79 -39.19 70.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.34 0.59 . . . . 0.0 109.762 -176.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--O 1.244 0.777 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.147 174.849 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.874 0.369 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.55 -40.83 66.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.472 0.654 . . . . 0.0 109.344 173.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -102.31 92.94 4.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.228 -0.897 . . . . 0.0 109.235 177.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -61.96 122.88 16.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.106 0.479 . . . . 0.0 110.748 -178.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -102.65 140.2 37.25 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.55 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -122.37 -121.2 0.28 Allowed 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 166.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -166.81 97.26 0.54 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.315 0.579 . . . . 0.0 110.368 177.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.573 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 47.5 t -120.12 111.49 17.92 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.014 177.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -69.92 -15.64 63.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.14 -45.13 18.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.746 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 14.4 mm100 -72.73 -32.73 65.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.44 176.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.669 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -59.02 -61.25 2.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.591 177.524 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.0 p -56.67 -37.92 71.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.468 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 18' ' ' ASP . . . -57.48 -40.93 79.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.806 0.336 . . . . 0.0 111.021 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.6 mt -74.65 -40.78 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.317 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.4 t -63.32 -45.03 99.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.9 0.381 . . . . 0.0 110.257 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -71.69 -23.46 61.66 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.685 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.758 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.9 t70 -65.87 -51.58 57.57 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 175.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.9 mtt -54.93 -38.51 67.76 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.165 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.94 -45.04 99.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.147 0.498 . . . . 0.0 110.385 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 25' ' ' LYS . . . -64.74 -39.08 93.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.016 177.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 18' ' ' ASP . 39.6 t -66.16 -33.74 65.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.216 177.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.59 -40.32 96.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.092 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -88.34 -12.65 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 111.088 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 35.0 tptt -73.28 -43.48 60.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.585 0.707 . . . . 0.0 109.12 176.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -85.56 -20.68 29.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 171.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.0 tttp 55.85 90.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 113.899 -1.5 . . . . 0.0 112.01 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.441 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -116.52 135.52 22.92 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.88 175.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.801 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 14.1 Cg_exo -69.19 168.49 20.66 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.668 2.245 . . . . 0.0 111.253 176.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.479 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 59.5 t -60.87 -43.05 94.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.761 0.315 . . . . 0.0 111.065 -175.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.444 ' O ' HG13 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -69.76 -51.01 37.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -178.473 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.801 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 4.1 mm? -54.74 -42.74 71.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.679 0.276 . . . . 0.0 110.861 176.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.422 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 34.2 t -61.76 -47.3 85.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.961 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 80.2 mt -62.44 -40.11 95.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.57 0.224 . . . . 0.0 111.333 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 31' ' ' ASP . 60.1 mt -69.43 -39.6 78.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.878 0.371 . . . . 0.0 110.33 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.462 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -62.42 -45.54 92.66 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.377 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 33' ' ' SER . 88.7 mt -61.49 -36.36 80.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.358 177.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.82 -51.68 57.52 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.088 176.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -46.33 89.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.04 0.448 . . . . 0.0 110.453 177.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.0 ttt -61.27 -51.76 67.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.49 -176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.98 75.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.083 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 m -55.72 -48.25 75.49 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.54 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -57.1 -49.28 76.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.22 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HA ' HG22 ' A' ' 47' ' ' THR . 88.0 mt -71.05 -38.58 72.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.356 -176.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.495 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 86.0 mt -71.44 -13.66 61.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.357 -178.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.6 p -105.36 13.26 30.61 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.85 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.415 HG22 ' HA ' ' A' ' 44' ' ' LEU . 11.1 t -134.45 -44.03 0.76 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.342 -0.543 . . . . 0.0 112.412 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.9 t -81.37 -43.44 19.0 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 121.886 -0.509 . . . . 0.0 111.201 -177.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 27.5 m -102.56 149.6 36.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.146 -177.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 49' ' ' VAL . 22.1 Cg_exo -65.81 139.74 58.5 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 123.012 2.475 . . . . 0.0 111.797 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.552 ' HG2' HD11 ' B' ' 73' ' ' LEU . 21.0 mp0 -56.51 -36.46 69.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.276 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.6 t -65.94 -18.92 65.67 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.507 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -107.72 -21.33 12.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.643 0.259 . . . . 0.0 110.641 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 37.0 t -55.08 -53.81 51.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.583 -174.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.738 ' HG3' HG23 ' B' ' 66' ' ' ILE . 41.3 tt0 -58.16 -41.68 84.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.986 0.422 . . . . 0.0 110.795 -178.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.04 -53.73 41.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.111 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mp -66.28 -39.88 89.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.67 -176.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.1 88.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.838 0.352 . . . . 0.0 110.809 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -70.28 -35.58 73.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.439 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.13 89.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.076 0.465 . . . . 0.0 110.185 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.432 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 69.0 t80 -61.85 -38.2 87.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.108 176.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 66' ' ' ILE . 15.9 t -61.79 -52.43 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.75 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -56.49 -36.8 69.54 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.2 m -63.75 -42.0 97.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.254 177.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 69' ' ' VAL . 97.2 mt -65.96 -38.04 87.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.3 177.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.686 HG12 ' O ' ' A' ' 62' ' ' SER . 39.0 mm -59.45 -45.92 93.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.9 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -66.14 -41.16 90.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.733 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.21 92.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.641 HG11 ' HB2' ' B' ' 55' ' ' GLU . 76.1 t -60.27 -49.56 83.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 177.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -59.84 -37.09 78.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.318 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.1 m -59.39 -37.34 77.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.859 0.361 . . . . 0.0 110.816 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.2 mmm-85 -71.98 -41.8 67.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.004 0.431 . . . . 0.0 110.522 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.52 -16.01 62.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -78.23 24.66 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.014 175.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -61.3 99.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 172.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -88.26 118.78 28.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -173.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -135.17 -36.57 0.81 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.549 174.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -84.72 -40.39 17.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.819 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -91.68 121.38 33.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.766 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.2 m80 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.238 -0.887 . . . . 0.0 109.733 179.572 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.938 0.399 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.54 117.08 20.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.64 -177.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -129.58 93.73 3.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.71 0.767 . . . . 0.0 110.584 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -145.41 37.79 1.12 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.3 -0.863 . . . . 0.0 108.719 175.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -53.93 102.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.343 -1.299 . . . . 0.0 112.672 -173.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -133.32 -42.9 0.86 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.706 173.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -122.75 -65.36 1.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.612 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.538 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 46.8 t -162.26 113.79 1.63 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.407 178.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -67.29 -23.52 65.67 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 175.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.43 -45.78 44.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.163 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 15.7 mm100 -66.12 -38.36 87.98 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.646 ' O ' HG23 ' B' ' 16' ' ' VAL . 57.9 tp -56.51 -58.69 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.944 177.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 23.8 p -56.91 -39.9 75.29 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 123.17 0.294 . . . . 0.0 111.419 -175.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.17 83.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 0.0 111.168 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 79.2 mt -69.74 -50.47 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.999 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.6 t -63.65 -42.95 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.974 0.416 . . . . 0.0 110.246 -178.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -53.01 -48.68 67.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.077 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.736 ' O ' HG23 ' B' ' 22' ' ' VAL . 25.9 t0 -63.61 -52.77 59.42 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.167 -177.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 54.4 mtm -55.88 -41.12 73.97 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.204 0.315 . . . . 0.0 111.691 -176.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.8 mt -65.17 -42.44 94.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 120.763 0.315 . . . . 0.0 110.661 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.27 -40.81 86.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.923 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 18' ' ' ASP . 48.2 t -59.61 -45.11 94.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.969 177.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.478 HD11 ' OG ' ' B' ' 33' ' ' SER . 6.2 tt -60.06 -51.43 69.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.243 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.03 -42.84 99.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.195 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -75.98 -18.44 59.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 110.927 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -81.68 -11.39 59.08 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 tttp 64.87 34.18 9.43 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.995 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.45 124.51 80.21 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.497 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.08 155.02 52.68 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.24 1.96 . . . . 0.0 111.554 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.45 -22.45 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -176.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.413 ' O ' HG13 ' B' ' 35' ' ' ILE . 7.3 m-20 -62.04 -69.85 0.23 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.585 0.707 . . . . 0.0 110.449 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.99 -30.52 66.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.163 -174.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.478 ' OG ' HD11 ' B' ' 23' ' ' LEU . 32.8 t -64.72 -40.86 96.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.207 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.61 -43.76 95.96 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.493 ' CG2' HD11 ' A' ' 12' ' ' LEU . 22.7 mt -69.17 -34.39 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.468 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -61.11 -51.93 67.04 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 174.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.4 -38.37 80.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.246 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.42 -53.98 37.76 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.383 177.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -60.2 -40.16 89.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.564 0.221 . . . . 0.0 111.239 178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.492 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 27.1 ttt -67.1 -51.34 55.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.56 69.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.21 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 12.9 p -58.06 -48.05 81.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.749 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -57.7 -40.84 80.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.047 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 40' ' ' MET . 73.4 mt -67.23 -54.64 19.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.007 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mp -68.37 -8.46 40.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -175.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.3 p -106.32 10.64 31.6 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.701 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.3 m -140.37 -45.27 0.41 Allowed 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 54.3 p -85.21 -39.1 18.19 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -171.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 35.9 m -96.4 155.22 38.22 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.496 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.467 ' HG2' ' HG2' ' B' ' 53' ' ' GLN . 11.6 Cg_endo -57.71 121.82 10.68 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.496 2.131 . . . . 0.0 112.209 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.465 ' HA ' ' SG ' ' B' ' 54' ' ' CYS . 11.0 pt20 -59.32 -18.14 35.37 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.659 -178.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 25.8 m -61.56 -37.87 85.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.976 0.417 . . . . 0.0 111.055 177.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.467 ' HG2' ' HG2' ' B' ' 50' ' ' PRO . 12.7 pt20 -119.24 2.71 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.192 -173.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' B' ' 51' ' ' GLN . 27.8 p -59.1 -43.65 91.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.665 -173.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.641 ' HB2' HG11 ' A' ' 69' ' ' VAL . 36.7 tt0 -61.23 -41.19 96.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.713 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.38 93.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.641 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 mp -67.47 -37.01 82.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.302 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.21 89.99 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.216 0.531 . . . . 0.0 110.382 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.36 -49.32 76.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.932 176.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.53 -33.21 75.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.749 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.509 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 86.8 t80 -59.71 -55.05 39.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.021 0.439 . . . . 0.0 110.106 177.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.602 ' O ' HG12 ' B' ' 66' ' ' ILE . 41.7 t -67.86 -36.48 80.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.622 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -57.61 -40.89 80.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.586 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 33.8 t -68.61 -30.32 69.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.124 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.558 ' O ' HG23 ' B' ' 69' ' ' VAL . 87.3 mt -65.01 -48.19 74.83 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 175.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.738 HG23 ' HG3' ' A' ' 55' ' ' GLU . 18.0 mm -53.67 -45.59 60.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.547 0.689 . . . . 0.0 109.871 177.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -65.24 -43.77 90.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.884 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.76 92.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.214 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 65' ' ' LEU . 92.0 t -59.82 -48.92 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.824 178.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -67.75 -31.94 72.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.869 0.366 . . . . 0.0 111.041 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' B' ' 74' ' ' GLU . 41.3 m -70.19 -23.24 62.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.289 0.566 . . . . 0.0 110.259 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -79.68 -27.3 40.8 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.552 HD11 ' HG2' ' A' ' 51' ' ' GLN . 9.2 mp -76.66 -18.03 58.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.437 175.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' B' ' 71' ' ' THR . 7.9 mm-40 -60.27 90.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.774 173.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -75.46 144.68 41.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -73.65 86.08 1.63 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.31 0.576 . . . . 0.0 111.491 -175.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -126.06 6.92 7.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.906 175.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -90.21 112.52 24.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.479 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -92.8 -25.36 18.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.193 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 4.4 t60 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.5 -0.762 . . . . 0.0 110.192 -177.393 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.956 0.408 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.45 141.81 12.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.463 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -108.08 170.28 8.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.572 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -117.95 45.23 2.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.105 0.478 . . . . 0.0 110.425 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 p -179.35 -88.39 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.086 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -148.47 -69.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -100.96 -73.04 0.66 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 169.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.492 ' HB2' ' CG ' ' A' ' 11' ' ' GLN . 66.3 m -159.28 126.31 4.69 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.89 -28.89 66.58 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.2 -39.2 75.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.085 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.492 ' CG ' ' HB2' ' A' ' 8' ' ' SER . 67.0 mm-40 -65.32 -49.53 69.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.107 177.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 16' ' ' VAL . 56.8 tp -60.31 -57.11 14.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.033 -177.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.5 p -54.86 -39.44 68.63 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.01 79.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.719 0.295 . . . . 0.0 110.956 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.31 -46.55 96.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.443 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.7 t -70.91 -33.94 53.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.182 0.515 . . . . 0.0 109.811 -176.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.35 -29.45 67.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.441 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.759 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 m-20 -63.88 -46.02 86.79 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.2 mtt -56.48 -39.23 72.89 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.898 0.749 . . . . 0.0 110.761 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.7 mt -61.44 -43.65 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.71 86.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 18' ' ' ASP . 44.6 t -58.39 -42.56 84.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 121.21 0.529 . . . . 0.0 110.117 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.74 -44.01 93.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.881 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -72.47 -42.98 64.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.446 -176.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.04 -41.98 94.74 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -176.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -85.82 -11.26 53.86 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.658 -0.417 . . . . 0.0 109.961 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.945 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER 63.96 87.17 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.204 179.02 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.511 ' HB2' HD13 ' B' ' 15' ' ' ILE . . . -130.94 132.57 23.97 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.506 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.716 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 7.5 Cg_exo -71.27 166.0 30.66 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.595 2.196 . . . . 0.0 111.38 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 29.7 m -64.21 -16.72 19.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.543 ' O ' HG13 ' A' ' 35' ' ' ILE . 12.0 p-10 -90.08 -45.67 8.99 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.493 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.716 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 40.2 mt -65.51 -42.36 92.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.626 0.25 . . . . 0.0 111.291 177.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.3 p -64.86 -31.95 73.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.948 0.404 . . . . 0.0 110.516 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.55 HD12 HD12 ' A' ' 37' ' ' LEU . 13.8 tp -65.69 -36.48 83.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.938 177.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 31' ' ' ASP . 56.2 mt -69.03 -36.78 75.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.342 177.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -59.9 -41.33 91.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.83 0.347 . . . . 0.0 110.258 174.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.55 HD12 HD12 ' A' ' 34' ' ' LEU . 95.9 mt -58.73 -42.63 89.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.419 176.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.91 -43.27 94.07 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.622 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -60.8 -44.12 97.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 0.0 110.477 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.4 tpt -66.42 -47.61 72.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.661 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -52.78 -53.93 41.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.564 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 p -61.87 -44.45 96.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.832 0.349 . . . . 0.0 111.374 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -66.88 -36.71 82.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.753 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.6 -42.49 74.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.528 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 95.5 mt -65.69 -25.86 67.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.9 p -93.8 15.99 15.22 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.752 0.31 . . . . 0.0 111.342 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.7 m -132.54 -51.39 0.93 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 p -88.97 -21.38 23.57 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -169.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.5 138.71 27.72 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.378 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -49.12 145.65 14.07 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.603 2.869 . . . . 0.0 112.499 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.49 -54.17 48.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.009 -172.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 t -64.93 -24.13 67.43 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -174.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -94.64 -12.69 26.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.679 0.276 . . . . 0.0 111.08 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 37.4 t -59.04 -48.1 82.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.574 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.84 -35.69 75.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.254 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.08 -52.08 13.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.454 -176.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.15 -38.95 89.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.411 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.93 92.81 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.383 177.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -65.33 -50.48 65.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.02 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.13 -47.78 84.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.428 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -56.09 -49.97 72.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.425 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.516 ' O ' HG12 ' A' ' 66' ' ' ILE . 19.4 m -61.98 -47.92 82.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.201 -179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -64.1 -34.32 77.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.5 p -68.36 -28.32 67.02 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.255 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' B' ' 42' ' ' SER . 83.3 mt -72.52 -36.01 68.22 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.289 174.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.516 HG12 ' O ' ' A' ' 62' ' ' SER . 23.7 mm -61.04 -39.12 81.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -59.46 -42.95 93.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.921 175.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 72' ' ' ARG . . . -62.55 -42.09 99.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.737 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 65' ' ' LEU . 87.2 t -56.49 -51.05 69.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.243 175.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -57.59 -47.99 80.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.93 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.8 m -62.63 -42.71 99.75 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 68' ' ' ALA . 57.0 mtp180 -65.04 -44.01 90.47 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.198 -177.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 73' ' ' LEU . 3.9 mm? -77.46 -43.71 31.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.875 0.369 . . . . 0.0 110.919 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -98.68 44.35 1.03 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.724 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -59.88 107.11 0.57 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.513 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -100.85 121.17 41.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.495 -175.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -122.44 169.72 10.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.352 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 14.8 t-80 -145.32 21.34 1.54 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 78' ' ' HIS . 62.6 m-70 66.56 -72.15 0.09 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.078 -171.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.1 p80 . . . . . 0 C--O 1.248 0.984 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.006 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.1 ttp . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.98 168.05 0.31 Allowed 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.788 0.68 . . . . 0.0 111.758 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -121.96 126.49 48.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.009 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -76.22 52.61 0.76 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.376 0.608 . . . . 0.0 111.843 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -81.19 57.43 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.216 0.531 . . . . 0.0 110.636 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -85.44 -1.61 57.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.828 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 62.61 79.39 0.26 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.654 -174.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.551 ' HB3' ' HB3' ' B' ' 11' ' ' GLN . 44.8 t -80.74 112.65 18.3 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.728 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -67.13 -12.46 60.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.79 -49.18 9.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.038 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.551 ' HB3' ' HB3' ' B' ' 8' ' ' SER . 7.2 tp60 -59.2 -43.61 92.26 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.446 174.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 16' ' ' VAL . 60.3 tp -57.06 -57.14 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.974 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 71.2 p -56.69 -36.48 69.67 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.19 0.306 . . . . 0.0 111.533 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.04 98.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.765 0.317 . . . . 0.0 110.516 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.511 HD13 ' HB2' ' A' ' 28' ' ' ALA . 74.8 mt -67.26 -38.99 82.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.812 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.5 t -67.86 -35.13 71.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.128 0.49 . . . . 0.0 109.754 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -68.94 -31.81 70.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.607 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -58.78 -43.61 90.5 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.407 ' HE1' HD23 ' A' ' 37' ' ' LEU . 82.2 mtp -57.53 -47.02 83.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.675 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.66 -45.64 98.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.345 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -60.61 -54.61 43.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.458 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 32.3 m -64.52 -30.01 48.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.099 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.14 -44.05 85.28 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -71.78 -17.51 62.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.45 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 34.0 mmtp -84.7 -16.15 42.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 0.0 111.068 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -101.12 -32.99 10.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.159 177.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.21 80.07 0.19 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.166 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.48 138.52 19.91 Favored Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -73.28 42.92 0.68 Allowed 'Trans proline' 0 N--CA 1.477 0.504 0 C-N-CA 123.282 2.655 . . . . 0.0 113.804 -173.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t 71.61 -47.0 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.526 0.731 . . . . 0.0 111.585 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.537 ' O ' HG13 ' B' ' 35' ' ' ILE . 36.4 m-20 -51.07 -66.24 0.42 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.062 0.458 . . . . 0.0 110.86 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.8 -31.25 71.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.277 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -61.76 -45.44 93.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.171 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.78 -40.2 76.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.95 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 31' ' ' ASP . 59.3 mt -63.71 -44.39 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.013 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.88 86.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.721 0.296 . . . . 0.0 110.737 177.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.29 -40.23 95.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.421 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.06 -48.11 83.01 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.544 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.24 -46.8 87.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.626 0.251 . . . . 0.0 110.758 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.448 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 13.6 tpt -63.74 -47.91 79.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.77 -52.1 66.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.499 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.645 ' HB3' HD22 ' A' ' 65' ' ' LEU . 24.0 p -63.55 -44.57 93.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.135 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -55.42 -50.85 68.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 40' ' ' MET . 68.2 mt -63.8 -42.65 97.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.259 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.85 -13.28 61.25 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 21.1 p -112.66 10.44 19.4 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.456 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 19.0 m -136.81 -41.54 0.6 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.4 m -89.17 -35.69 16.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -171.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.571 HG23 ' HB3' ' B' ' 54' ' ' CYS . 15.6 m -109.7 160.11 29.14 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.172 -176.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.538 ' HG2' ' HB2' ' B' ' 53' ' ' GLN . 6.6 Cg_endo -49.94 128.16 21.17 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.542 2.828 . . . . 0.0 112.518 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.553 ' HG3' HG23 ' B' ' 52' ' ' THR . 24.7 pt20 -61.66 -25.19 67.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -170.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' THR . . . . . 0.553 HG23 ' HG3' ' B' ' 51' ' ' GLN . 41.0 p -100.11 -19.82 16.3 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.534 0.683 . . . . 0.0 111.219 -176.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.538 ' HB2' ' HG2' ' B' ' 50' ' ' PRO . 85.2 mm-40 -97.89 -10.61 24.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.538 -178.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' CYS . . . . . 0.571 ' HB3' HG23 ' B' ' 49' ' ' VAL . 29.4 p -80.08 -37.75 33.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.185 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.58 -40.45 94.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.135 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.09 83.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.843 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.37 -35.32 73.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.295 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.71 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.067 0.461 . . . . 0.0 110.582 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -71.01 -37.69 72.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.06 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.87 -34.38 73.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 110.636 176.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.87 -47.02 87.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.484 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.623 ' O ' HG12 ' B' ' 66' ' ' ILE . 0.7 OUTLIER -64.49 -44.5 90.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.56 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -51.15 -48.47 61.85 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.004 0.431 . . . . 0.0 110.282 174.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -60.26 -36.71 78.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.852 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.46 ' O ' HG23 ' B' ' 69' ' ' VAL . 88.3 mt -64.53 -46.68 81.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.746 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.623 HG12 ' O ' ' B' ' 62' ' ' SER . 6.1 mm -60.49 -42.01 89.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.427 0.632 . . . . 0.0 109.699 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -68.36 -40.22 81.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.896 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.55 92.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.98 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 65' ' ' LEU . 74.8 t -59.62 -46.97 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.774 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.04 -33.62 76.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.5 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 26.3 m -76.41 -29.3 57.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.08 0.467 . . . . 0.0 110.739 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' B' ' 72' ' ' ARG . 3.6 tpm_? -65.98 -50.97 62.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.626 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.85 -32.35 52.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.84 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' B' ' 75' ' ' HIS . 0.0 OUTLIER 66.83 -167.19 0.21 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.375 178.579 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.453 ' H ' ' CD ' ' B' ' 74' ' ' GLU . 23.8 m80 -136.76 146.72 46.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.097 -174.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 53.32 72.83 0.4 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.562 0.539 . . . . 0.0 110.468 174.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -127.59 -5.95 5.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.925 -169.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -150.85 147.89 27.8 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.769 -176.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' HIS . . . . . 0.508 ' O ' ' HB3' ' B' ' 80' ' ' HIS . 62.4 t-80 76.15 -44.47 0.5 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.968 171.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' B' ' 79' ' ' HIS . 34.3 t60 . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.252 -0.88 . . . . 0.0 108.695 -166.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.647 0.261 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.51 122.53 47.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.848 0.356 . . . . 0.0 111.096 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -77.46 160.96 28.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.058 176.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -104.87 103.7 13.33 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -172.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -76.7 100.56 5.45 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 171.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -83.46 -74.62 0.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.739 -171.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -139.59 87.28 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.326 0.584 . . . . 0.0 111.038 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.3 m -120.49 123.58 43.3 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.391 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -65.34 -20.5 66.42 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.73 -38.76 67.34 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.265 175.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.502 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.5 tp-100 -68.99 -45.05 71.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.113 176.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.651 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.9 tm? -54.64 -52.5 62.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.269 177.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.8 m -57.56 -41.85 81.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.195 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.08 -36.12 80.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.085 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 11' ' ' GLN . 80.5 mt -69.65 -50.96 45.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.2 t -65.1 -41.21 91.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.916 0.388 . . . . 0.0 110.502 -176.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -68.25 -29.78 68.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.243 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.678 ' O ' HG23 ' A' ' 22' ' ' VAL . 18.8 t0 -68.91 -49.5 57.59 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.0 mtt -50.74 -50.59 55.22 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.013 0.435 . . . . 0.0 110.787 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.13 -47.05 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.579 ' O ' ' HE2' ' A' ' 25' ' ' LYS . . . -63.27 -46.01 88.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.606 0.241 . . . . 0.0 111.418 -177.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 18' ' ' ASP . 49.1 t -62.75 -42.57 96.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.857 0.36 . . . . 0.0 110.22 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 tp -63.96 -43.42 95.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.078 0.466 . . . . 0.0 110.116 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -59.76 -37.28 78.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.135 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HE2' ' O ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -71.27 -13.64 61.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.707 -177.327 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -101.5 -31.31 10.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 171.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt 65.5 93.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.246 -174.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.473 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -102.65 139.33 20.08 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.067 177.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 17.3 Cg_exo -66.66 152.78 79.97 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.641 2.227 . . . . 0.0 111.347 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.413 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 39.2 t -57.87 -31.43 40.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 123.515 0.509 . . . . 0.0 111.342 -175.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.56 ' O ' HG13 ' A' ' 35' ' ' ILE . 35.3 t70 -74.03 -49.96 21.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.028 0.442 . . . . 0.0 110.324 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.526 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 74.2 mt -68.52 -35.65 77.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.864 -177.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.8 p -62.87 -39.83 95.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 0.0 110.613 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 84.8 mt -66.79 -36.39 82.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 31' ' ' ASP . 51.4 mt -67.8 -47.0 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.636 0.255 . . . . 0.0 110.412 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.481 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -58.15 -46.46 85.63 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.463 177.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.59 -41.25 88.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.594 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.88 -50.39 66.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.407 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -60.66 -40.21 91.21 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.895 0.379 . . . . 0.0 110.6 178.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.402 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 27.7 ttt -69.26 -48.03 62.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -178.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.92 -48.34 80.18 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 m -58.52 -47.73 83.19 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.959 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -60.47 -49.04 79.17 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.245 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 40' ' ' MET . 80.8 mt -63.74 -34.9 78.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 111.238 -178.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' HA ' HG12 ' A' ' 49' ' ' VAL . 89.5 mt -76.69 -14.12 59.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.329 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.404 ' CG2' HG13 ' B' ' 69' ' ' VAL . 5.7 p -104.04 -5.19 22.38 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.25 -0.58 . . . . 0.0 112.342 176.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.3 p -130.41 -39.1 1.33 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.2 m -92.11 -42.34 9.98 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.205 -0.31 . . . . 0.0 111.834 -169.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 45' ' ' LEU . 8.9 p -85.13 139.34 36.63 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 175.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -37.04 105.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.69 2.927 . . . . 0.0 113.532 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.544 ' HA ' ' HB2' ' A' ' 54' ' ' CYS . 27.3 pt20 -72.92 -13.2 61.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.998 -173.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.494 HG23 ' HG3' ' A' ' 53' ' ' GLN . 10.5 t -71.58 -9.72 58.66 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.439 0.638 . . . . 0.0 110.078 175.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.494 ' HG3' HG23 ' A' ' 52' ' ' THR . 97.0 mt-30 -136.23 23.34 3.24 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 51' ' ' GLN . 53.1 t -50.93 -55.43 17.24 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.009 -173.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -59.74 -45.31 92.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 111.058 -176.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.18 -49.44 74.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.157 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.8 mt -70.79 -38.62 73.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.586 -174.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.76 98.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.21 0.528 . . . . 0.0 111.037 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -76.09 -30.08 58.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.971 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.45 -48.69 74.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.269 174.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -54.78 -45.56 74.29 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.046 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.635 ' O ' HG12 ' A' ' 66' ' ' ILE . 55.9 m -57.79 -57.76 11.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.088 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -58.2 -42.94 87.24 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.2 m -70.01 -30.17 67.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.832 0.348 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.7 tp -67.93 -39.33 83.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.134 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.635 HG12 ' O ' ' A' ' 62' ' ' SER . 26.4 mm -58.59 -49.1 83.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.032 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -63.61 -35.3 80.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.768 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.5 92.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.59 177.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 88.4 t -62.5 -45.33 99.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.784 177.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 66' ' ' ILE . 30.7 mtpp -58.58 -46.06 87.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.713 178.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.1 m -66.88 -31.66 72.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.068 0.461 . . . . 0.0 111.092 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 8.8 tpm_? -58.0 -45.94 86.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.964 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 tt -89.66 -51.09 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.664 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -73.31 126.41 30.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.919 0.39 . . . . 0.0 111.662 -168.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -124.3 6.63 8.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -72.97 101.5 3.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.031 0.443 . . . . 0.0 110.151 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -91.11 86.43 6.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.484 -177.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -176.08 110.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -80.48 28.43 0.32 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -172.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.2 t60 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.27 -0.871 . . . . 0.0 109.068 172.439 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.612 0.244 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.1 121.13 21.04 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.231 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -93.85 -73.35 0.57 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.346 0.594 . . . . 0.0 110.478 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -129.59 -165.56 1.54 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.173 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 17.8 p -62.63 125.37 23.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.165 0.507 . . . . 0.0 111.894 -175.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -103.62 12.05 35.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.932 174.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -83.57 44.07 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.175 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.8 m -86.88 142.22 28.2 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.151 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.58 -29.51 66.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.28 -35.76 71.44 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.077 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -75.83 -41.65 51.96 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.195 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.69 ' O ' HG23 ' B' ' 16' ' ' VAL . 50.5 tp -59.29 -56.69 18.88 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.277 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 42.0 m -56.23 -36.45 68.49 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.885 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.39 -46.04 83.88 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.869 0.366 . . . . 0.0 110.847 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 71.9 mt -70.01 -48.71 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.052 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.6 t -63.45 -44.51 98.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.715 -177.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -64.56 -38.85 92.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.911 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.787 ' O ' HG23 ' B' ' 22' ' ' VAL . 30.3 t70 -65.43 -47.19 77.06 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 51.4 tpp -54.57 -42.1 70.63 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.415 0.447 . . . . 0.0 110.839 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.63 -46.11 95.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.585 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.49 90.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.787 HG23 ' O ' ' B' ' 18' ' ' ASP . 46.3 t -64.88 -41.4 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.133 0.492 . . . . 0.0 110.02 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 66.9 tp -62.63 -35.99 81.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.601 176.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -75.69 -30.86 59.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.714 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 tppp? -62.82 -48.82 77.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.906 177.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -79.07 -25.72 43.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.257 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.433 ' HE2' ' HB2' ' B' ' 27' ' ' LYS . 18.1 ttmm 57.51 81.87 0.13 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.689 -1.142 . . . . 0.0 111.647 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.23 134.53 20.28 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.08 175.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -68.77 160.74 48.36 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.19 1.927 . . . . 0.0 111.374 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 p -57.1 -26.4 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 120.834 0.35 . . . . 0.0 110.865 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.18 -68.61 0.26 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.708 0.766 . . . . 0.0 110.28 176.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.38 -32.05 69.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.353 -175.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 31.5 t -64.48 -36.07 82.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.649 0.261 . . . . 0.0 110.482 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 tp -67.84 -43.11 80.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.984 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.67 -43.57 98.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.634 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.463 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -57.11 -51.42 69.38 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.014 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.13 -37.4 85.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.598 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.63 -46.96 93.14 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.26 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -69.46 -43.98 72.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.67 0.272 . . . . 0.0 110.455 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 26.8 ttt -58.99 -47.31 85.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.948 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.23 90.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -62.75 -50.93 69.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.692 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.539 ' O ' HG22 ' B' ' 47' ' ' THR . 5.3 m-20 -55.2 -42.25 73.03 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.382 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.79 -52.83 39.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.761 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.649 HD13 ' HA ' ' B' ' 58' ' ' ALA . 96.0 mt -68.74 -5.68 21.97 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -174.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 12.5 p -103.47 -12.1 17.37 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.539 HG22 ' O ' ' B' ' 43' ' ' ASN . 11.3 t -137.95 -19.91 1.14 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -175.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 93.5 p -91.49 -3.25 56.76 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 118.475 0.58 . . . . 0.0 110.862 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.7 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 34.9 m -128.75 178.54 1.62 Allowed Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.16 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.7 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 72.4 Cg_exo -50.32 111.44 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 121.938 1.758 . . . . 0.0 111.321 171.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -64.74 -29.94 70.94 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -171.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 10.0 t -81.02 -6.9 59.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.226 0.536 . . . . 0.0 110.115 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.675 ' HB2' ' HB2' ' B' ' 50' ' ' PRO . 77.7 mt-30 -119.37 20.19 12.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.913 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 p -53.89 -46.3 71.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.864 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.24 -26.39 62.89 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.895 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.65 -42.97 63.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.866 0.365 . . . . 0.0 110.338 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.502 ' HG ' ' HB ' ' B' ' 49' ' ' VAL . 4.4 mm? -66.78 -32.5 73.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.279 176.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.649 ' HA ' HD13 ' B' ' 45' ' ' LEU . . . -62.86 -43.98 97.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.437 175.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -63.08 -40.62 98.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.454 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.11 -44.31 96.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.642 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -63.89 -41.37 97.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.878 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.669 ' O ' HG12 ' B' ' 66' ' ' ILE . 47.8 t -57.31 -56.52 20.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.727 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -55.48 -37.44 67.81 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.444 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 29.5 m -64.21 -40.92 97.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.396 177.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.73 -40.93 84.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.669 HG12 ' O ' ' B' ' 62' ' ' SER . 27.7 mm -57.63 -45.55 86.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.075 0.464 . . . . 0.0 110.057 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.539 ' HA ' ' HE2' ' B' ' 70' ' ' LYS . 34.4 m-80 -69.09 -34.8 75.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.144 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.09 -51.97 53.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.847 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.404 HG13 ' CG2' ' A' ' 46' ' ' THR . 73.9 t -58.49 -44.09 88.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.544 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' B' ' 67' ' ' ASN . 37.6 ttpt -56.43 -51.65 67.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.165 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 15.2 m -73.09 -25.97 61.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.854 0.359 . . . . 0.0 111.486 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 72' ' ' ARG . 0.7 OUTLIER -68.89 -42.78 76.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.091 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 54.2 tp -84.44 -47.78 10.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.19 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -88.06 107.32 18.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.068 0.461 . . . . 0.0 110.181 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -92.44 -1.05 57.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.291 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -87.94 82.78 7.16 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -143.1 78.81 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.201 0.524 . . . . 0.0 110.741 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 68.87 146.22 0.05 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 114.94 -1.027 . . . . 0.0 112.181 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -133.88 134.22 42.44 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.408 175.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.505 -0.759 . . . . 0.0 110.131 -176.862 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.95 27.97 8.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.209 0.528 . . . . 0.0 110.542 -175.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -67.29 -18.43 65.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.622 -177.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -88.26 15.21 7.95 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.611 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -92.91 15.11 15.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.979 0.418 . . . . 0.0 110.856 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -86.13 50.57 2.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.134 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 59.1 t80 62.47 81.84 0.19 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.499 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.531 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 28.5 t -111.52 136.33 50.84 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.408 -178.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -66.14 -23.82 66.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.17 -32.51 29.93 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.579 178.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.531 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 58.2 tt0 -68.36 -41.45 80.63 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.303 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.7 tp -54.1 -56.32 19.24 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.912 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.956 ' HA ' HG12 ' A' ' 16' ' ' VAL . 4.4 p -74.29 -21.31 59.8 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 120.338 -0.545 . . . . 0.0 112.176 -174.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.76 85.76 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 171.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.1 mt -70.58 -54.69 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.428 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.956 HG12 ' HA ' ' A' ' 13' ' ' SER . 7.8 p -70.48 -31.94 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.477 -0.489 . . . . 0.0 112.136 -174.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.516 ' HB3' ' O ' ' A' ' 13' ' ' SER . 7.5 t30 -75.53 -29.79 59.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.135 -0.353 . . . . 0.0 110.319 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.765 ' O ' HG23 ' A' ' 22' ' ' VAL . 37.5 t70 -71.98 -39.52 69.23 Favored 'General case' 0 C--O 1.214 -0.803 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 173.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.3 ttm -54.01 -44.94 71.35 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.725 0.64 . . . . 0.0 111.06 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 16' ' ' VAL . 73.5 mt -62.51 -39.28 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.298 176.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 25' ' ' LYS . . . -65.55 -36.62 84.33 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.673 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 18' ' ' ASP . 44.4 t -63.91 -38.0 81.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.014 0.435 . . . . 0.0 110.434 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 tt -60.15 -50.08 75.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.862 176.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.52 -17.27 61.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.398 0.618 . . . . 0.0 110.756 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 23.4 tptp -77.54 -37.46 50.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.663 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -84.61 -18.24 36.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.574 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm 62.97 37.81 11.56 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.732 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.52 142.06 23.96 Favored Pre-proline 0 N--CA 1.446 -0.659 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.81 158.25 51.91 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.249 1.966 . . . . 0.0 112.018 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 12.7 p -55.35 -26.77 19.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.033 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' O ' HG13 ' A' ' 35' ' ' ILE . 4.1 m-20 -63.54 -66.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.319 0.58 . . . . 0.0 110.549 178.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.51 -38.79 87.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.288 -173.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.9 m -69.14 -27.75 65.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.981 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 4.2 tt -74.17 -35.96 64.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 31' ' ' ASP . 57.6 mt -61.08 -37.77 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.244 176.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.465 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.24 -44.42 95.26 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.137 0.494 . . . . 0.0 110.294 175.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.96 -43.15 95.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.285 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.34 -42.93 99.7 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.476 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -58.81 -44.1 90.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.853 0.359 . . . . 0.0 110.671 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.8 ttt -73.81 -39.99 63.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -177.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.59 -49.35 77.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.29 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 p -64.72 -43.37 93.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.087 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -57.17 -46.25 82.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.44 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.9 mt -71.3 -42.66 68.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.663 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.466 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 88.6 mt -72.94 -11.97 60.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.84 -174.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.516 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 16.8 p -98.37 -22.33 16.13 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.366 177.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.8 p -97.31 -49.59 4.88 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -103.58 23.89 11.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.766 0.317 . . . . 0.0 111.148 -172.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.466 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 5.9 p -76.89 116.11 54.19 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.014 0.435 . . . . 0.0 111.334 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.531 ' HD2' ' CB ' ' A' ' 54' ' ' CYS . 16.7 Cg_exo -67.85 -23.83 40.95 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.57 2.18 . . . . 0.0 111.858 176.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 70.83 -57.13 0.6 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.232 1.013 . . . . 0.0 112.029 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 p -42.11 -54.09 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 124.172 0.92 . . . . 0.0 112.908 -171.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -115.34 -13.39 11.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.33 0.586 . . . . 0.0 110.365 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.531 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 41.9 t -70.64 -36.2 73.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.517 -173.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.75 -41.49 95.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.169 0.509 . . . . 0.0 109.817 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.69 -52.68 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.846 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.85 -32.7 73.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.57 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.16 -49.98 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.945 0.402 . . . . 0.0 110.343 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -66.12 -33.82 76.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.13 -50.2 64.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.837 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -63.88 -38.57 91.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.116 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.595 ' O ' HG12 ' A' ' 66' ' ' ILE . 36.1 t -54.98 -57.97 9.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.212 176.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -63.4 -26.9 68.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.699 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.3 m -63.04 -42.52 99.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.77 -41.46 83.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.242 176.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.595 HG12 ' O ' ' A' ' 62' ' ' SER . 30.3 mm -57.02 -49.22 80.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.611 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -67.88 -30.45 69.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.59 -46.64 78.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.85 0.357 . . . . 0.0 110.22 176.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.79 -43.37 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.274 176.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' HG2' ' OE2' ' A' ' 74' ' ' GLU . 22.5 ttpp -52.34 -55.4 21.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.266 176.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.2 m -61.86 -32.62 72.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.136 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -68.05 -35.66 78.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 0.0 110.848 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 73' ' ' LEU . 4.1 mm? -83.25 -19.46 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.234 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.465 ' OE2' ' HG2' ' A' ' 70' ' ' LYS . 45.5 mt-10 -84.23 -52.27 6.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.288 0.566 . . . . 0.0 110.688 175.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -97.45 115.17 27.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.477 -173.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -122.06 -55.32 1.88 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.337 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -130.91 107.79 9.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -111.48 138.23 48.27 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 172.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -64.19 -84.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.875 0.369 . . . . 0.0 111.044 -176.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.9 m170 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.349 -0.834 . . . . 0.0 109.609 176.706 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.728 0.299 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.49 10.86 35.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.335 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -106.67 111.82 24.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -138.91 135.05 34.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.003 0.43 . . . . 0.0 110.436 -178.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.413 ' C ' ' H ' ' B' ' 7' ' ' TYR . 77.9 p -116.72 159.03 22.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.346 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt 73.4 -30.6 0.21 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.503 0.721 . . . . 0.0 111.891 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.413 ' H ' ' C ' ' B' ' 5' ' ' SER . 10.3 t80 -80.66 57.26 2.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.404 0.621 . . . . 0.0 109.554 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m -103.81 146.37 28.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.61 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.01 -28.01 69.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.4 -32.27 60.7 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.684 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.54 ' O ' HG13 ' B' ' 15' ' ' ILE . 7.9 tp-100 -71.78 -44.54 63.82 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.638 178.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.643 ' O ' HG23 ' B' ' 16' ' ' VAL . 61.2 tp -55.09 -53.55 54.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.784 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -57.21 -41.96 80.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.985 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.17 85.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.888 0.375 . . . . 0.0 111.032 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.54 HG13 ' O ' ' B' ' 11' ' ' GLN . 80.9 mt -67.37 -51.31 53.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.194 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.9 t -66.01 -41.56 89.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 110.53 -176.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -63.58 -38.76 92.34 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.591 -177.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.719 ' O ' HG23 ' B' ' 22' ' ' VAL . 30.0 t70 -70.08 -45.59 66.69 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 6.5 mmm -52.23 -46.03 65.53 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.359 0.412 . . . . 0.0 111.566 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.5 -43.87 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 0.0 110.395 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -66.33 -35.41 80.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.277 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.719 HG23 ' O ' ' B' ' 18' ' ' ASP . 67.8 t -56.87 -47.06 83.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.035 0.445 . . . . 0.0 110.534 177.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 61.1 mt -77.42 -28.84 52.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.126 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.64 -36.56 81.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.074 0.464 . . . . 0.0 110.732 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 58.7 mttp -63.19 -30.94 71.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.927 -178.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -102.38 -11.35 18.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.791 0.329 . . . . 0.0 110.527 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt 62.91 96.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.277 -174.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' B' ' 33' ' ' SER . . . -90.56 109.09 31.68 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 172.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.403 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 73.5 Cg_endo -75.54 36.62 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.13 2.553 . . . . 0.0 113.656 -173.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' B' ' 29' ' ' PRO . 90.8 t 73.52 -50.9 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 123.215 0.606 . . . . 0.0 111.472 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.528 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.5 m-20 -51.91 -70.31 0.09 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.164 0.507 . . . . 0.0 110.775 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.22 -29.89 69.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.263 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.588 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 25.5 t -63.93 -54.04 40.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.403 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.08 -30.91 71.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.522 -176.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.528 HG13 ' O ' ' B' ' 31' ' ' ASP . 47.5 mt -70.51 -49.1 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.133 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.402 ' CB ' ' HB ' ' A' ' 16' ' ' VAL . . . -55.06 -50.14 69.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.633 0.254 . . . . 0.0 111.147 172.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 33' ' ' SER . 82.0 mt -59.9 -40.32 88.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.477 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.65 -46.03 86.14 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.158 177.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -52.59 -50.15 63.59 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.127 0.489 . . . . 0.0 110.123 175.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 12.9 tpt -65.02 -49.93 68.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.141 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.09 -46.66 85.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.383 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.5 m -56.88 -51.76 67.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.881 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -62.53 -40.34 96.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.732 -176.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.65 -50.69 56.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.576 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.54 -15.22 63.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.755 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.0 p -101.13 -4.76 26.7 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.914 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 27.2 m -118.22 -39.12 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.739 0.304 . . . . 0.0 111.466 -177.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -93.23 17.66 10.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.995 0.426 . . . . 0.0 110.954 -176.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.878 HG23 ' HB3' ' B' ' 54' ' ' CYS . 4.2 p -92.51 115.13 64.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -178.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' B' ' 49' ' ' VAL . 22.3 Cg_endo -64.82 -54.48 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.266 1.977 . . . . 0.0 110.742 173.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -179.75 -87.12 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.754 172.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 38.5 m -87.21 -32.69 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.93 -171.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -55.47 -45.73 76.92 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.273 0.558 . . . . 0.0 110.242 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' CYS . . . . . 0.878 ' HB3' HG23 ' B' ' 49' ' ' VAL . 47.7 t -79.8 -34.45 39.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.147 -178.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.08 -55.3 36.76 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.914 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.42 69.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.302 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.88 -34.78 78.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.716 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.9 -50.43 72.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.696 0.284 . . . . 0.0 110.655 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.88 -47.58 84.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.71 76.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.529 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.544 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 73.7 t80 -62.73 -43.49 98.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.799 -178.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.408 ' O ' HG12 ' B' ' 66' ' ' ILE . 25.0 t -61.32 -48.61 80.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.702 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -65.6 -33.47 75.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 6.0 t -65.28 -32.23 73.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.987 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 86.6 mt -66.88 -39.53 87.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.165 176.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.408 HG12 ' O ' ' B' ' 62' ' ' SER . 7.8 mm -62.05 -41.12 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 177.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -65.02 -39.38 93.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.675 176.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.95 98.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.432 HG23 ' O ' ' B' ' 65' ' ' LEU . 87.9 t -58.7 -47.36 89.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.074 0.464 . . . . 0.0 110.045 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -59.32 -44.07 92.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.731 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 23.6 m -69.91 -33.57 72.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.668 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -76.77 -34.04 58.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.342 -178.535 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 9.3 tt -75.86 -21.64 57.01 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.116 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.92 114.56 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.691 177.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.8 85.54 2.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.193 0.521 . . . . 0.0 109.912 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -84.58 -6.93 59.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.614 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 31.6 m80 75.21 112.88 0.07 Allowed 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.957 0.786 . . . . 0.0 111.821 175.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -107.86 1.99 23.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.511 0.672 . . . . 0.0 110.229 175.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -137.69 123.1 19.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.951 -178.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 . . . . . 0 C--O 1.244 0.78 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.83 179.064 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptm . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.971 0.415 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.8 98.26 7.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.643 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.412 ' C ' ' H ' ' A' ' 5' ' ' SER . 75.0 mt-30 -127.92 157.71 39.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.461 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.432 ' HA ' ' HB2' ' A' ' 7' ' ' TYR . 32.8 t-80 72.68 -29.93 0.21 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.662 0.785 . . . . 0.0 111.638 178.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 3' ' ' GLN . 30.5 t -57.08 110.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 175.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm 75.43 -14.76 0.74 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.766 0.826 . . . . 0.0 111.193 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.432 ' HB2' ' HA ' ' A' ' 4' ' ' HIS . 86.8 m-85 -81.94 58.54 3.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.226 0.536 . . . . 0.0 110.918 -178.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.785 ' HB2' ' HB2' ' A' ' 11' ' ' GLN . 21.8 m -101.66 134.44 44.8 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.56 -30.38 60.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.283 0.563 . . . . 0.0 109.61 177.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.75 -33.66 46.34 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.258 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.785 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 0.0 OUTLIER -70.45 -47.71 59.35 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 16' ' ' VAL . 64.5 tp -57.59 -50.86 71.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.69 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.7 m -55.3 -41.36 72.24 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.349 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.31 92.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.902 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.98 -46.06 85.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.6 t -63.92 -43.27 97.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.017 0.437 . . . . 0.0 110.151 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -67.78 -22.9 65.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.062 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.771 ' O ' HG23 ' A' ' 22' ' ' VAL . 28.9 t70 -75.01 -44.12 49.84 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.22 -37.61 75.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.848 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.6 mt -66.93 -40.57 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.411 . . . . 0.0 110.134 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.59 84.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.362 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.802 HG21 HG21 ' B' ' 22' ' ' VAL . 60.1 t -58.84 -48.32 86.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.101 174.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.695 ' HG ' ' HB3' ' A' ' 28' ' ' ALA . 8.6 tt -55.69 -46.69 77.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.821 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -72.41 -37.67 68.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.954 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -63.08 -48.4 78.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.091 -179.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -89.25 10.63 21.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.669 -176.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.27 58.91 3.61 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.675 174.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.695 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . . . -97.53 113.0 62.79 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.173 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.62 163.47 37.32 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.278 1.986 . . . . 0.0 110.879 174.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.1 m -55.9 -30.85 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 120.575 0.226 . . . . 0.0 111.593 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.546 ' HB3' ' HE1' ' B' ' 7' ' ' TYR . 3.5 m-20 -60.21 -64.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.409 0.623 . . . . 0.0 110.686 176.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.579 HD21 ' HA ' ' B' ' 7' ' ' TYR . 96.9 mt -72.24 -32.46 66.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.191 -173.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.6 p -66.82 -36.52 82.56 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.436 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.8 -42.22 90.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.804 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 31' ' ' ASP . 55.5 mt -66.28 -38.35 81.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.611 177.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.485 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.8 -48.36 82.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.57 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.09 -39.55 92.82 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.332 177.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.86 -45.05 93.7 Favored Glycine 0 C--O 1.236 0.239 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.52 177.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -59.68 -46.34 89.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 110.403 177.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.7 tpt -70.99 -34.65 71.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.066 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.444 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.12 -57.18 13.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.777 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 p -62.42 -37.58 86.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.661 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -56.99 -52.52 64.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.852 176.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.7 -38.27 83.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.724 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 91.4 mt -64.89 -23.76 67.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.295 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.5 p -101.54 11.02 39.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.873 0.368 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.9 m -127.06 -51.21 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.0 t -92.63 -60.02 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -170.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.7 m -69.65 153.23 95.83 Favored Pre-proline 0 C--N 1.327 -0.373 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.181 -175.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.88 119.32 5.85 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.971 2.447 . . . . 0.0 111.716 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -65.22 -25.77 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.03 -173.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.0 m -77.82 -11.5 59.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.379 0.609 . . . . 0.0 110.823 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.537 ' HG2' ' HG ' ' A' ' 57' ' ' LEU . 55.1 tt0 -124.96 10.95 8.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.452 0.644 . . . . 0.0 109.431 -178.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 48.2 t -61.74 -61.07 2.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.821 -173.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -19.7 64.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.72 0.295 . . . . 0.0 111.475 -176.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.43 -52.31 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.959 0.409 . . . . 0.0 110.118 174.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.537 ' HG ' ' HG2' ' A' ' 53' ' ' GLN . 93.5 mt -64.99 -34.04 77.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.81 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.3 -45.98 92.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.782 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -68.36 -35.3 77.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.24 70.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.45 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 65.1 t80 -61.63 -40.98 96.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.926 178.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.614 ' O ' HG12 ' A' ' 66' ' ' ILE . 48.1 t -54.96 -59.38 4.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.924 177.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -60.71 -32.66 71.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.286 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.2 m -62.12 -43.51 98.66 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 94.1 mt -63.62 -43.92 95.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.589 177.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.614 HG12 ' O ' ' A' ' 62' ' ' SER . 18.8 mm -57.72 -45.29 86.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.136 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -69.24 -35.88 76.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.153 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.49 -50.19 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.939 0.399 . . . . 0.0 110.662 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.59 -33.29 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.957 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 19.3 tptt -60.24 -37.6 80.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.86 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.4 m -83.48 -33.37 25.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.091 0.472 . . . . 0.0 110.579 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -57.88 -52.35 65.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.58 0.705 . . . . 0.0 110.039 176.485 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.9 tp -76.21 -57.14 4.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.918 177.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 75' ' ' HIS . 25.5 tt0 62.86 -73.39 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.805 0.691 . . . . 0.0 110.745 -171.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 9.5 t60 160.24 -16.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -174.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 25.3 t60 71.59 77.63 0.17 Allowed 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 114.336 -1.302 . . . . 0.0 108.779 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -58.15 116.4 3.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.742 -1.117 . . . . 0.0 112.761 -173.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -132.85 28.87 4.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.518 169.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -129.84 13.33 5.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.422 176.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 117.881 -1.057 . . . . 0.0 108.994 -175.347 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.9 mmm . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.33 -20.1 60.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.84 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.29 98.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.135 0.493 . . . . 0.0 111.434 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -124.53 86.87 2.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.009 173.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.7 p -130.42 162.03 30.04 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.035 0.445 . . . . 0.0 111.328 -174.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -101.51 -54.19 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.072 175.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.579 ' HA ' HD21 ' A' ' 32' ' ' LEU . 62.6 m-85 -136.62 85.17 2.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.832 -175.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.509 ' HB3' ' HB3' ' B' ' 11' ' ' GLN . 44.9 t -95.43 114.78 26.58 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.82 -15.78 63.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.273 0.559 . . . . 0.0 109.616 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.26 -38.91 18.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.078 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.509 ' HB3' ' HB3' ' B' ' 8' ' ' SER . 51.0 tt0 -72.59 -39.09 67.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.587 176.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.647 ' O ' HG23 ' B' ' 16' ' ' VAL . 57.7 tp -57.31 -57.52 12.26 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.572 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 8.4 p -56.73 -40.97 76.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.049 -177.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' B' ' 18' ' ' ASP . . . -60.28 -34.98 74.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.299 176.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.486 HG13 ' O ' ' B' ' 11' ' ' GLN . 98.5 mt -74.56 -48.63 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.992 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.647 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.4 t -62.28 -44.19 98.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.34 0.591 . . . . 0.0 109.657 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -64.86 -30.18 71.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.679 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' B' ' 14' ' ' ALA . 3.6 t70 -66.82 -44.81 80.19 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.483 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 66.5 mtt -60.29 -42.56 95.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.546 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 16' ' ' VAL . 69.5 mt -61.87 -48.54 88.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.077 0.465 . . . . 0.0 110.383 176.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.69 97.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.875 -177.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 22' ' ' VAL . 32.9 m -72.24 -28.94 30.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.941 -0.303 . . . . 0.0 111.177 -179.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 19' ' ' MET . 66.9 mt -71.17 -35.32 71.58 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 176.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -81.0 -21.27 40.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.956 0.408 . . . . 0.0 110.773 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -68.61 -41.3 79.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.185 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -88.68 -18.98 26.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 171.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 pttp 40.51 80.09 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.533 -1.212 . . . . 0.0 112.771 -175.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.53 156.75 35.42 Favored Pre-proline 0 N--CA 1.447 -0.583 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.703 174.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.568 ' HB2' ' OD1' ' B' ' 31' ' ' ASP . 53.0 Cg_endo -69.7 159.12 54.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.566 1.51 . . . . 0.0 111.181 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 t -59.72 -27.61 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.415 -175.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.568 ' OD1' ' HB2' ' B' ' 29' ' ' PRO . 3.5 p-10 -65.02 -60.86 2.58 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.844 -177.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.88 -43.76 94.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.739 0.304 . . . . 0.0 111.434 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -65.51 -31.63 72.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 -176.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 16.0 tp -77.46 -35.08 54.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.758 0.313 . . . . 0.0 110.231 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 31' ' ' ASP . 80.1 mt -64.73 -37.71 80.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 120.936 0.398 . . . . 0.0 110.152 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.558 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -61.51 -47.75 84.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.209 174.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.14 -40.24 89.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.982 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.2 -47.5 89.31 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.448 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -62.23 -41.39 98.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.603 0.24 . . . . 0.0 110.958 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.6 ttt -67.87 -41.02 83.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.882 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.55 -51.41 68.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.107 0.479 . . . . 0.0 110.061 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 16.3 m -58.86 -47.79 83.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.111 177.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -51.46 -48.98 62.61 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.604 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.66 -47.98 67.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.679 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.479 ' HG ' HG11 ' B' ' 49' ' ' VAL . 5.6 mp -77.12 -1.5 29.52 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -174.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.2 p -112.28 4.86 17.99 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.5 m -137.48 -42.29 0.55 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.6 t -125.6 29.66 5.93 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.009 -0.676 . . . . 0.0 112.533 -169.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.562 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 28.5 m -123.09 169.05 10.67 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 72.5 Cg_exo -51.39 109.87 0.36 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.37 2.046 . . . . 0.0 111.524 174.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -60.15 -45.07 94.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.175 -172.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 5.8 m -85.0 -6.43 59.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.133 0.492 . . . . 0.0 110.992 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.461 ' HB3' ' HB2' ' B' ' 50' ' ' PRO . 45.8 tt0 -126.06 21.22 7.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.525 0.679 . . . . 0.0 109.931 -176.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 6.1 p -63.67 -54.59 33.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.553 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.61 -34.51 71.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.95 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.5 -51.92 65.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.37 -40.27 93.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.047 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.35 69.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.288 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -68.31 -39.52 81.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.67 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.71 -53.82 50.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.994 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -61.38 -38.42 86.96 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.049 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.583 ' O ' HG12 ' B' ' 66' ' ' ILE . 39.4 t -62.24 -51.55 67.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.82 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -62.81 -40.88 98.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.966 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 64.3 p -69.96 -25.02 63.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.0 110.424 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 69' ' ' VAL . 28.6 tp -72.13 -37.16 69.51 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 177.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.583 HG12 ' O ' ' B' ' 62' ' ' SER . 14.2 mm -62.15 -42.21 94.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -63.28 -41.72 99.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.827 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' B' ' 72' ' ' ARG . . . -60.79 -47.03 88.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.93 177.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 65' ' ' LEU . 82.7 t -59.0 -43.06 88.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.892 0.377 . . . . 0.0 110.358 176.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -59.27 -43.45 92.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.57 175.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 27.5 m -66.78 -24.53 66.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.052 0.453 . . . . 0.0 111.09 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' B' ' 68' ' ' ALA . 53.9 mmt-85 -78.16 -43.13 29.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.059 0.457 . . . . 0.0 109.973 175.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 8.7 tt -71.37 -39.87 70.97 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.797 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -73.79 82.34 1.62 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.122 0.487 . . . . 0.0 110.426 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -77.76 117.82 19.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.567 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.403 ' C ' ' H ' ' B' ' 78' ' ' HIS . 34.7 t-80 -75.85 -13.78 60.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.396 0.617 . . . . 0.0 109.85 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -80.93 34.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.631 175.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' B' ' 76' ' ' HIS . 57.8 t-80 -115.02 111.33 20.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.087 -178.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -152.0 91.59 1.64 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.202 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.493 -0.765 . . . . 0.0 109.672 177.562 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ttt . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.927 0.394 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.04 96.66 10.6 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -177.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -77.87 96.28 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -70.04 168.52 15.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.294 -176.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -62.34 113.97 3.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.702 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -85.73 14.36 5.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.773 0.321 . . . . 0.0 110.849 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.453 ' HD1' ' HB2' ' B' ' 32' ' ' LEU . 56.1 m-85 62.43 75.3 0.41 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.994 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.462 ' HB2' ' CB ' ' A' ' 11' ' ' GLN . 6.3 m -101.2 132.81 46.51 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -63.69 -23.37 67.35 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.6 -34.94 40.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 109.587 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.462 ' CB ' ' HB2' ' A' ' 8' ' ' SER . 34.7 tt0 -70.54 -38.26 74.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.044 177.178 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.668 ' O ' HG23 ' A' ' 16' ' ' VAL . 62.7 tp -58.39 -55.5 34.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.361 175.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.8 m -51.78 -42.57 62.52 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.478 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.22 91.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.02 0.438 . . . . 0.0 111.282 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.6 mt -68.91 -47.67 74.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.3 t -64.17 -41.05 91.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.968 0.413 . . . . 0.0 110.283 -178.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -64.09 -33.57 76.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.435 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.721 ' O ' HG23 ' A' ' 22' ' ' VAL . 35.0 t70 -65.94 -48.19 72.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.9 mtt -55.74 -40.41 72.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.224 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 16' ' ' VAL . 77.9 mt -58.31 -45.99 89.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.966 0.412 . . . . 0.0 110.21 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.75 -44.75 84.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.511 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 18' ' ' ASP . 42.8 t -56.3 -46.78 81.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.137 0.494 . . . . 0.0 110.66 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' A' ' 28' ' ' ALA . 21.1 tp -61.47 -39.26 90.24 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.654 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -72.89 -39.77 66.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.368 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -61.98 -46.75 87.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -176.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -80.33 -20.83 43.34 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt 62.71 84.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.341 -175.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -101.17 111.54 63.68 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.2 162.27 30.58 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.316 2.011 . . . . 0.0 111.583 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -48.71 -33.6 5.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 O-C-N 123.5 0.5 . . . . 0.0 111.036 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.519 ' O ' HG13 ' A' ' 35' ' ' ILE . 2.8 m-20 -55.8 -71.56 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.509 0.671 . . . . 0.0 110.894 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.8 mt -68.47 -30.22 69.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.416 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.4 t -61.0 -48.17 83.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.612 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.6 mt -68.17 -38.45 82.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.011 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 31' ' ' ASP . 45.8 mt -67.4 -38.59 81.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.826 0.346 . . . . 0.0 110.631 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.518 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -62.9 -44.72 95.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.306 175.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.639 ' HG ' HD11 ' B' ' 37' ' ' LEU . 8.0 tt -59.44 -44.4 92.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.979 177.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.32 -51.08 61.26 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.467 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -61.14 -40.19 92.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.699 0.285 . . . . 0.0 111.085 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.462 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 27.6 ttt -65.3 -51.25 61.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.0 75.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.596 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.3 p -63.83 -40.14 95.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -63.75 -36.93 85.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.725 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 40' ' ' MET . 63.7 mt -73.18 -45.3 57.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.211 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.541 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 95.0 mt -67.02 -19.39 65.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.577 -177.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -96.74 -5.03 39.61 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.127 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.1 m -106.61 -54.33 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.606 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.3 m -95.7 24.85 4.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -176.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.541 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 2.3 p -56.79 123.16 56.79 Favored Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.424 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -66.79 -84.65 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 122.719 2.28 . . . . 0.0 112.537 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -137.02 -114.09 0.17 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.2 m -101.61 -16.24 16.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.76 0.791 . . . . 0.0 110.319 -178.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -73.56 -1.7 19.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.009 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.421 ' HB3' HG23 ' A' ' 49' ' ' VAL . 7.4 p -58.36 -48.15 81.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.365 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.415 ' HB3' HG23 ' B' ' 66' ' ' ILE . 23.5 mt-10 -62.52 -47.84 82.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.952 176.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.57 -50.25 74.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.76 -175.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.6 -37.9 83.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.202 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.06 92.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.966 0.412 . . . . 0.0 110.598 178.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -66.2 -45.29 81.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.067 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.19 70.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.276 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -57.2 -51.35 69.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 66' ' ' ILE . 20.8 p -65.57 -52.36 52.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.072 -176.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -53.48 -47.21 69.99 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.597 0.359 . . . . 0.0 111.127 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.6 t -67.24 -33.99 76.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.3 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.594 HD11 ' HA ' ' B' ' 42' ' ' SER . 30.4 tp -65.88 -39.44 90.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.084 177.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.686 HG12 ' O ' ' A' ' 62' ' ' SER . 21.0 mm -62.91 -43.81 99.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 121.586 0.707 . . . . 0.0 109.524 176.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -65.02 -34.2 77.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.07 94.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.22 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.15 -44.04 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.21 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -58.83 -36.56 74.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.072 0.463 . . . . 0.0 110.851 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.0 m -75.8 -21.69 57.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.953 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.1 -47.25 37.55 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 73' ' ' LEU . 3.9 mm? -68.97 -37.48 78.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.817 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -83.25 77.22 9.81 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.68 0.752 . . . . 0.0 109.841 175.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -119.12 94.28 4.38 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.902 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -71.18 124.13 23.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.14 -175.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -167.19 130.02 1.74 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.185 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -161.0 -55.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.606 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -152.42 -175.78 5.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.4 m170 . . . . . 0 C--O 1.243 0.731 0 CA-C-O 118.493 -0.765 . . . . 0.0 109.346 174.133 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 71.9 mtm . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.88 37.43 2.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.526 0.679 . . . . 0.0 109.462 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -83.35 84.17 7.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.023 -172.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -139.3 161.88 36.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.218 175.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -78.65 67.48 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.086 0.47 . . . . 0.0 111.906 -175.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -174.12 77.85 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.984 0.897 . . . . 0.0 108.624 172.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -57.51 -34.74 69.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.2 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 44.2 m -160.47 95.59 1.13 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.114 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -70.44 -16.26 62.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.162 0.506 . . . . 0.0 109.653 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.99 -45.99 75.92 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.524 172.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.488 ' O ' HG13 ' B' ' 15' ' ' ILE . 28.9 mm-40 -59.92 -46.42 89.43 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.927 174.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.706 ' O ' HG23 ' B' ' 16' ' ' VAL . 47.5 tp -55.26 -57.85 10.11 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.009 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 21.5 m -53.65 -42.03 67.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.109 -177.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.04 97.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.702 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 11' ' ' GLN . 85.0 mt -66.22 -47.62 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.706 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.5 t -65.74 -34.84 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.93 -43.86 82.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.264 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.526 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.7 m-20 -63.96 -35.83 81.97 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.565 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.419 ' HG2' ' O ' ' B' ' 15' ' ' ILE . 93.3 mmm -56.52 -42.95 79.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.874 0.369 . . . . 0.0 110.331 175.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 49.5 mm -74.76 -41.74 47.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.13 -47.15 81.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.774 0.321 . . . . 0.0 111.261 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 18' ' ' ASP . 64.5 t -65.55 -32.62 59.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.315 0.579 . . . . 0.0 109.849 178.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.85 -52.4 60.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.871 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -74.61 -22.64 58.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.855 -174.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 11.8 ptmm? -71.97 -22.4 61.45 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.178 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -78.67 -27.73 45.22 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 170.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 tptt 66.53 41.75 3.05 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.682 176.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.85 146.49 31.39 Favored Pre-proline 0 N--CA 1.449 -0.524 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.79 158.41 42.65 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.285 1.99 . . . . 0.0 111.432 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 10.4 p -56.6 -24.24 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.494 -177.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.479 ' O ' HG13 ' B' ' 35' ' ' ILE . 14.4 t70 -67.04 -64.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.977 -178.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.453 ' HB2' ' HD1' ' A' ' 7' ' ' TYR . 40.5 tp -63.16 -39.12 93.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.992 -177.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -67.19 -31.16 71.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.046 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 7.2 tt -71.33 -33.61 69.79 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 31' ' ' ASP . 52.2 mt -63.19 -39.18 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.28 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -59.58 -42.75 93.21 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.515 174.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.639 HD11 ' HG ' ' A' ' 37' ' ' LEU . 61.8 tp -63.85 -40.55 96.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.568 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.83 -44.77 97.42 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.062 178.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -60.29 -42.06 94.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.982 0.42 . . . . 0.0 110.182 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.508 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 47.7 ttm -61.12 -52.72 63.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.563 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.76 -50.03 71.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.095 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.594 ' HA ' HD11 ' A' ' 65' ' ' LEU . 24.0 m -56.77 -47.94 78.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.739 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -61.93 -39.65 92.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.08 -178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' B' ' 40' ' ' MET . 63.8 mt -65.75 -46.19 79.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.735 0.302 . . . . 0.0 111.235 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.488 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 6.2 mp -70.89 -18.19 62.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.137 0.494 . . . . 0.0 111.82 -177.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 24.4 p -102.05 1.35 36.33 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.048 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 92.4 m -126.62 -45.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.3 m -107.74 23.84 13.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.973 0.416 . . . . 0.0 111.091 -174.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.838 HG22 ' H ' ' B' ' 51' ' ' GLN . 8.2 p -77.34 121.61 84.77 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 121.186 0.517 . . . . 0.0 111.835 -175.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 1.042 ' HD2' ' HB2' ' B' ' 54' ' ' CYS . 11.9 Cg_exo -73.21 2.74 5.25 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.417 2.744 . . . . 0.0 112.456 174.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.838 ' H ' HG22 ' B' ' 49' ' ' VAL . 30.0 tt0 75.53 -57.51 0.58 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.044 0.938 . . . . 0.0 112.424 172.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 8.4 t -95.66 -35.09 11.72 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -171.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -87.52 -39.86 14.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.865 0.365 . . . . 0.0 111.108 -176.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' CYS . . . . . 1.042 ' HB2' ' HD2' ' B' ' 50' ' ' PRO . 46.1 t -59.54 -40.85 88.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.631 -175.007 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -59.28 -58.88 6.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 111.166 -177.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.85 84.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.382 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.64 -41.29 84.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.687 -175.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.53 94.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.943 0.402 . . . . 0.0 110.614 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -67.1 -40.0 86.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.437 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.1 -50.48 73.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.751 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -58.75 -46.33 87.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.375 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.704 ' O ' HG12 ' B' ' 66' ' ' ILE . 44.9 m -59.16 -53.82 54.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -60.41 -38.29 83.54 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 111.243 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 46.4 m -65.78 -36.46 83.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.185 0.517 . . . . 0.0 110.211 177.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.476 ' O ' HG23 ' B' ' 69' ' ' VAL . 14.9 tp -68.25 -40.74 81.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.309 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.704 HG12 ' O ' ' B' ' 62' ' ' SER . 29.5 mm -60.19 -49.06 85.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 -177.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -75.35 -20.94 58.72 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.703 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.56 80.51 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 65' ' ' LEU . 90.8 t -62.43 -40.48 88.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.195 174.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -54.78 -42.17 71.41 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 111.069 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 31.3 m -73.12 -41.71 63.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.895 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -29.36 65.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.956 0.408 . . . . 0.0 110.57 -178.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 42.9 tp -76.5 -27.9 56.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.608 175.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 66.74 14.58 9.85 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.395 172.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -127.97 45.05 2.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.308 0.575 . . . . 0.0 111.536 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -141.05 -66.88 0.42 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.7 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -138.26 69.62 1.39 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -127.48 91.1 3.24 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.653 173.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -91.26 -28.66 17.64 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 t60 . . . . . 0 C--O 1.242 0.681 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.603 174.723 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.45 -167.96 0.19 Allowed 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.701 0.626 . . . . 0.0 111.056 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -90.75 131.74 36.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.944 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -74.3 137.45 42.9 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 m -72.3 87.38 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.277 0.561 . . . . 0.0 111.488 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -120.95 37.82 4.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 174.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 64.48 90.75 0.08 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.882 -169.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.684 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 44.7 t -110.86 108.09 17.78 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 175.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -69.44 -12.98 62.1 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.57 -36.66 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.6 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.684 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 1.0 OUTLIER -68.98 -42.4 76.59 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.624 173.188 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.1 tm? -54.47 -57.55 10.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.288 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 p -58.65 -41.3 85.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.278 -177.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.99 97.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.302 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 11' ' ' GLN . 88.9 mt -62.29 -46.59 96.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.689 0.28 . . . . 0.0 110.827 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.5 t -70.01 -41.36 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -61.62 -46.91 87.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.169 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.717 ' O ' HG23 ' A' ' 22' ' ' VAL . 10.4 t70 -66.7 -39.84 88.22 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 50.0 tpp -61.89 -34.58 76.3 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.849 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 16' ' ' VAL . 84.2 mt -58.31 -46.88 88.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.188 0.518 . . . . 0.0 109.655 173.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 25' ' ' LYS . . . -65.7 -39.57 91.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.747 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 18' ' ' ASP . 53.8 t -59.97 -44.35 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 121.238 0.542 . . . . 0.0 110.343 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.1 tp -65.27 -38.08 89.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.402 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.525 ' HG3' ' HE2' ' A' ' 27' ' ' LYS . 38.6 tt0 -67.53 -25.99 66.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.961 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 73.7 mmtt -70.38 -26.2 63.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.389 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -105.81 -32.29 8.45 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.979 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HE2' ' HG3' ' A' ' 24' ' ' GLU . 28.3 mmtp 60.42 81.01 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.975 0.797 . . . . 0.0 111.519 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.24 135.38 73.04 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.749 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.02 36.06 0.32 Allowed 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 123.073 2.515 . . . . 0.0 113.43 -176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.5 t 70.93 -55.4 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 123.751 0.82 . . . . 0.0 111.019 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.658 ' O ' HG12 ' A' ' 35' ' ' ILE . 12.4 m-20 -54.03 -64.49 0.81 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.165 -177.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.596 HD22 ' HB2' ' B' ' 12' ' ' LEU . 85.0 mt -60.43 -28.16 68.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.584 -175.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -67.94 -36.13 79.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.112 0.482 . . . . 0.0 109.851 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -79.06 -32.1 44.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.953 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.658 HG12 ' O ' ' A' ' 31' ' ' ASP . 8.1 mm -69.77 -47.56 69.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -53.49 17.46 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.952 171.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.27 -43.2 99.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.445 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.69 -50.23 69.38 Favored Glycine 0 C--O 1.236 0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.569 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.07 -40.42 90.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.94 0.4 . . . . 0.0 110.209 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 41.7 ttm -60.09 -48.69 80.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.748 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -53.25 -55.66 22.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.877 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.5 m -59.32 -48.79 80.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.123 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -63.01 -45.44 92.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.137 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.5 mt -70.93 -37.42 72.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.565 0.222 . . . . 0.0 111.523 -178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HA ' HG22 ' A' ' 49' ' ' VAL . 80.9 mt -69.18 -21.25 63.99 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.972 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.464 HG21 ' HG3' ' B' ' 72' ' ' ARG . 23.4 p -100.52 7.11 44.31 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.409 -0.516 . . . . 0.0 112.244 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.2 p -137.06 -45.87 0.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.4 m -94.89 -43.2 8.3 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -167.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 45' ' ' LEU . 13.3 m -84.87 157.07 60.76 Favored Pre-proline 0 C--N 1.323 -0.558 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.069 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.41 114.77 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.654 2.236 . . . . 0.0 111.876 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.455 ' HA ' ' HB2' ' A' ' 54' ' ' CYS . 13.6 pt20 -66.74 -20.37 65.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.231 -176.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.505 HG23 ' HG3' ' A' ' 53' ' ' GLN . 12.9 t -77.78 -5.17 49.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.163 0.506 . . . . 0.0 110.461 176.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.508 ' HB3' HD13 ' A' ' 57' ' ' LEU . 96.5 mt-30 -131.15 15.82 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.972 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 51' ' ' GLN . 48.7 t -63.17 -48.98 76.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.696 -174.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -71.89 -35.81 69.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.838 -179.431 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.03 -53.33 58.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.992 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 53' ' ' GLN . 10.1 mp -67.33 -37.43 83.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.56 -51.4 69.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.898 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -66.71 -41.62 87.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.35 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.18 -48.09 82.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.372 . . . . 0.0 110.597 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.25 -44.83 94.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.368 177.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.644 ' O ' HG12 ' A' ' 66' ' ' ILE . 49.3 m -59.51 -58.14 9.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.389 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -59.63 -30.46 68.72 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.985 -175.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.6 m -65.91 -41.7 91.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.793 0.33 . . . . 0.0 110.265 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.68 -43.55 79.89 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.272 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 62' ' ' SER . 28.9 mm -53.88 -47.03 64.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.87 177.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.94 -50.34 74.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.877 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.52 -47.6 83.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.756 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.4 t -67.4 -41.43 86.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.101 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 37.3 ttmt -70.08 -35.7 74.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.693 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 60.9 m -75.18 -20.85 59.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.463 . . . . 0.0 110.565 176.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -71.88 -44.41 63.81 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.6 tp -63.39 -58.14 8.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.765 176.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 71' ' ' THR . 38.7 tt0 37.68 90.14 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 O-C-N 124.484 1.115 . . . . 0.0 113.701 170.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -99.37 105.17 17.11 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.906 0.384 . . . . 0.0 110.942 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 84.42 2.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.608 0.718 . . . . 0.0 110.4 176.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -65.87 -37.94 87.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.172 -175.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -129.46 135.45 48.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -75.09 133.98 41.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.822 0.344 . . . . 0.0 110.813 -175.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.3 m80 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.528 -0.748 . . . . 0.0 109.95 175.222 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.577 0.227 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.28 135.11 39.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -108.86 76.76 1.03 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.863 0.363 . . . . 0.0 110.73 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 58.89 84.94 0.1 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.164 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -70.85 113.94 8.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.227 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -63.13 -40.92 99.0 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.226 0.536 . . . . 0.0 109.997 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.422 ' HB2' HD21 ' A' ' 32' ' ' LEU . 84.4 m-85 -127.27 -79.51 0.59 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.314 174.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.712 ' HB2' ' HB3' ' B' ' 11' ' ' GLN . 20.1 m -150.49 110.66 4.15 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 175.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -61.03 -24.36 66.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.146 0.498 . . . . 0.0 110.236 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.88 -39.0 44.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.033 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.712 ' HB3' ' HB2' ' B' ' 8' ' ' SER . 50.2 tt0 -71.14 -41.81 69.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.917 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.604 ' CD1' ' HB ' ' A' ' 35' ' ' ILE . 23.4 tp -54.01 -56.2 20.16 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.071 177.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' SER . . . . . 0.835 ' HA ' HG12 ' B' ' 16' ' ' VAL . 23.7 p -77.15 -14.7 59.75 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.97 -172.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.82 76.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.177 0.513 . . . . 0.0 109.63 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mt -67.68 -48.76 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.902 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.835 HG12 ' HA ' ' B' ' 13' ' ' SER . 9.8 p -72.49 -20.89 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.682 -178.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' B' ' 13' ' ' SER . 46.4 t-20 -61.34 -53.38 57.43 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 173.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.542 ' O ' HG23 ' B' ' 22' ' ' VAL . 4.4 m-20 -55.77 -52.78 62.76 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.621 175.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.429 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 62.2 mtt -49.02 -55.62 11.46 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.877 -177.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 68.2 mt -67.05 -43.45 88.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.732 0.301 . . . . 0.0 111.226 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.16 -34.28 77.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.613 -177.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 18' ' ' ASP . 70.7 t -68.6 -42.04 83.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' B' ' 19' ' ' MET . 96.5 mt -61.14 -40.21 92.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.089 0.471 . . . . 0.0 109.959 175.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.2 -52.6 63.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.64 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -60.38 -34.03 73.31 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 111.32 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -75.57 -17.38 60.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 60.77 37.24 18.94 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.759 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.95 127.5 83.66 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.635 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.95 162.54 25.38 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.78 2.32 . . . . 0.0 112.024 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -60.23 -21.69 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.613 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.507 ' O ' HG13 ' B' ' 35' ' ' ILE . 11.4 m-20 -65.72 -67.03 0.47 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.22 0.533 . . . . 0.0 110.947 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 12' ' ' LEU . 87.3 mt -68.59 -30.92 69.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.947 -172.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.5 p -64.13 -45.53 88.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.679 0.276 . . . . 0.0 110.803 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.05 -36.26 82.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.166 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.507 HG13 ' O ' ' B' ' 31' ' ' ASP . 60.9 mt -65.27 -43.71 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.656 0.265 . . . . 0.0 110.424 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.32 -42.01 90.41 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.883 0.373 . . . . 0.0 110.681 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.49 -39.7 94.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.332 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.56 -38.75 96.89 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.178 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -62.78 -45.98 90.12 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 20.9 mmt -62.49 -50.05 72.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.942 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.4 27.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.217 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.3 p -62.22 -44.29 96.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.373 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.71 -42.04 92.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.246 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -79.3 -37.71 37.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.912 0.387 . . . . 0.0 111.153 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -71.27 -14.21 62.15 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.399 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 10.9 p -97.13 -25.58 15.27 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.647 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.7 p -109.13 -36.83 5.95 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -172.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.7 m -89.06 -51.89 5.36 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -169.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.32 149.14 91.4 Favored Pre-proline 0 C--O 1.236 0.383 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.897 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.17 122.71 12.2 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.268 2.646 . . . . 0.0 112.646 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -62.37 -19.69 63.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.821 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' THR . . . . . 0.604 HG23 ' HG3' ' B' ' 53' ' ' GLN . 9.0 t -73.91 -15.15 61.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.687 0.279 . . . . 0.0 110.943 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.604 ' HG3' HG23 ' B' ' 52' ' ' THR . 77.0 mt-30 -133.14 22.79 4.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.34 -177.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 7.2 p -59.2 -49.44 77.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.906 -174.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' B' ' 55' ' ' GLU . 0.0 OUTLIER -73.97 -27.2 60.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.617 0.246 . . . . 0.0 111.619 -178.233 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.86 -47.93 41.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.835 0.35 . . . . 0.0 110.778 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.86 -32.36 72.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.533 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.49 ' HB1' HD13 ' A' ' 66' ' ' ILE . . . -61.9 -42.31 98.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.094 0.473 . . . . 0.0 110.419 175.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -68.9 -38.57 79.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.804 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.32 95.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.784 0.326 . . . . 0.0 110.697 177.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.523 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 51.9 t80 -59.13 -44.31 92.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.109 175.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.698 ' O ' HG12 ' B' ' 66' ' ' ILE . 34.0 t -62.63 -59.98 4.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.838 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -54.51 -41.23 69.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.218 -173.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 61.7 p -67.48 -39.04 85.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 74.5 mt -65.79 -45.62 81.76 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.751 0.31 . . . . 0.0 110.786 177.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.698 HG12 ' O ' ' B' ' 62' ' ' SER . 5.7 mm -62.49 -40.34 87.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -69.8 -34.66 74.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.635 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.9 -46.17 91.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.271 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 65' ' ' LEU . 60.3 t -59.0 -40.95 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.258 175.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' B' ' 74' ' ' GLU . 64.5 mttm -64.54 -31.4 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.136 177.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 11.5 m -84.9 -7.88 58.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.622 0.725 . . . . 0.0 110.438 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.623 ' NE ' ' HA ' ' B' ' 72' ' ' ARG . 4.6 mmp_? -93.59 -49.34 5.93 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.423 0.63 . . . . 0.0 110.24 173.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.62 -39.27 83.71 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.492 176.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' B' ' 70' ' ' LYS . 3.5 mm-40 -96.62 108.27 20.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.284 0.564 . . . . 0.0 110.587 176.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -138.25 106.63 5.81 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.926 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.553 ' HB2' ' HA ' ' B' ' 80' ' ' HIS . 24.2 m170 -118.91 147.2 44.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.122 -177.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -91.89 -47.58 7.24 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -92.44 108.2 19.79 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 61.92 100.66 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 O-C-N 124.019 0.824 . . . . 0.0 110.933 -176.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.553 ' HA ' ' HB2' ' B' ' 76' ' ' HIS . 14.6 p80 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.606 177.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.71 109.97 5.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.412 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.452 ' HB3' ' H ' ' A' ' 4' ' ' HIS . 1.7 mp0 58.74 -152.75 0.4 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.017 175.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.452 ' H ' ' HB3' ' A' ' 3' ' ' GLN . 86.1 m-70 -92.24 24.96 3.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.174 0.512 . . . . 0.0 110.482 176.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 t -87.46 39.33 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.509 0.671 . . . . 0.0 109.344 177.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -85.62 26.66 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.325 -173.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 63.83 84.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.386 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.42 ' HB2' ' HB3' ' A' ' 11' ' ' GLN . 17.4 m -84.06 105.79 15.2 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -62.37 -14.9 44.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.429 0.633 . . . . 0.0 109.369 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.02 -41.61 35.18 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.112 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.48 ' O ' HG13 ' A' ' 15' ' ' ILE . 34.8 tt0 -71.2 -38.94 72.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.799 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 16' ' ' VAL . 55.4 tp -53.79 -61.73 2.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 177.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 p -56.77 -36.83 70.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.32 -177.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.49 92.95 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.819 0.342 . . . . 0.0 110.648 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 11' ' ' GLN . 84.7 mt -67.71 -49.47 69.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.79 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.6 t -63.97 -41.34 92.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.603 -175.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -62.35 -41.55 98.69 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.206 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.716 ' O ' HG23 ' A' ' 22' ' ' VAL . 36.1 t70 -66.3 -51.12 60.54 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.42 ' O ' HD23 ' A' ' 23' ' ' LEU . 40.5 ttp -51.47 -45.28 62.69 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.271 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 78.8 mt -60.69 -51.02 77.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.626 0.25 . . . . 0.0 110.704 177.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.84 96.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.283 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 18' ' ' ASP . 62.8 t -59.35 -46.1 92.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.702 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 19' ' ' MET . 4.1 mm? -64.8 -36.51 84.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.248 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 20' ' ' ILE . 19.0 mm-40 -64.71 -41.61 95.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.013 0.435 . . . . 0.0 110.371 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -69.05 -33.61 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.823 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -77.39 -27.75 52.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.049 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt 56.18 76.7 0.28 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.499 0.666 . . . . 0.0 110.505 -177.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.09 134.05 21.15 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.611 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -69.23 152.76 72.06 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.418 2.079 . . . . 0.0 111.707 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.15 -18.06 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.887 -176.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.472 ' O ' HG13 ' A' ' 35' ' ' ILE . 12.2 m-20 -63.66 -66.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.9 -36.81 83.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.004 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 t -58.44 -52.62 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.052 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 34' ' ' LEU . 4.3 mm? -73.35 -27.67 61.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.466 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 31' ' ' ASP . 79.1 mt -72.08 -39.45 65.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.399 176.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.36 -45.92 91.78 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.8 -36.39 82.27 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.807 176.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.39 -53.4 36.13 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.228 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.16 -39.63 87.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.803 0.335 . . . . 0.0 110.667 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.501 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 2.0 tpt -65.48 -49.89 67.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.463 178.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.3 -46.2 86.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.882 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -59.86 -48.24 82.49 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.162 0.506 . . . . 0.0 110.824 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -63.68 -38.59 91.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.669 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 40' ' ' MET . 76.0 mt -69.58 -39.16 77.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.031 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 84.7 mt -68.29 -17.3 64.24 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.226 -0.296 . . . . 0.0 111.205 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 p -105.55 9.83 33.29 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 175.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.8 m -138.16 -44.32 0.51 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.55 ' HB3' ' HB ' ' B' ' 30' ' ' VAL . 49.1 m -83.31 -13.5 54.98 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -173.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.495 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 19.6 m -89.65 162.86 35.02 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.495 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 10.1 Cg_endo -54.57 -74.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.798 2.332 . . . . 0.0 111.584 173.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -179.98 -80.55 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.666 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.4 m -69.42 -35.76 76.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.524 -173.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -69.96 -6.61 34.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.601 -175.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.488 ' SG ' HG11 ' B' ' 69' ' ' VAL . 48.9 t -56.33 -38.73 71.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.409 -178.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.98 -42.91 95.21 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.076 0.465 . . . . 0.0 110.512 -177.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.98 -45.23 64.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.046 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.87 -41.84 91.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.634 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.19 95.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.769 0.319 . . . . 0.0 110.642 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -70.11 -30.22 67.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.063 0.459 . . . . 0.0 110.369 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.56 76.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.099 174.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.07 -39.69 95.46 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.009 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.618 ' O ' HG12 ' A' ' 66' ' ' ILE . 29.2 t -54.22 -61.87 2.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.561 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -62.13 -27.07 68.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.037 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.1 t -63.0 -44.69 95.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.13 -39.23 86.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.24 176.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.618 HG12 ' O ' ' A' ' 62' ' ' SER . 34.1 mm -58.03 -51.18 73.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.848 177.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -63.61 -36.38 83.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.723 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.65 83.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.833 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.9 t -63.99 -43.02 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.567 ' HD3' ' O ' ' A' ' 66' ' ' ILE . 5.7 mptp? -62.03 -39.88 93.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.945 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.8 m -75.56 -19.89 58.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.178 0.513 . . . . 0.0 110.822 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.523 ' HG3' ' HB ' ' B' ' 46' ' ' THR . 1.4 tmt_? -73.64 -37.38 65.36 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.9 mt -81.99 -39.3 23.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.684 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 68.17 131.61 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.717 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -75.39 -20.6 58.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.416 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -110.11 102.35 11.06 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 175.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -106.86 -25.06 11.84 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.606 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.8 t60 60.94 -86.37 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.84 -177.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 170.61 -17.77 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.429 -177.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 117.924 -1.036 . . . . 0.0 109.999 -175.882 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.937 0.398 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.71 -30.47 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.272 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -99.08 110.12 22.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.805 0.336 . . . . 0.0 110.257 -178.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -94.98 -41.23 9.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.134 0.492 . . . . 0.0 109.883 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -149.38 109.22 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.348 175.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -68.89 -26.93 65.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.222 0.535 . . . . 0.0 110.428 -178.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -74.65 -69.78 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.11 177.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.456 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 48.2 t 175.23 118.93 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.983 -177.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.07 -23.9 67.31 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 173.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.7 -38.55 64.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.242 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.456 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 16.6 mm-40 -70.73 -40.0 73.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.58 -56.77 17.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.437 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' SER . . . . . 0.415 ' HA ' HG23 ' B' ' 16' ' ' VAL . 11.8 p -59.18 -37.58 77.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.381 -177.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -36.81 79.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 111.313 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 63.1 mt -69.65 -43.0 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.623 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.415 HG23 ' HA ' ' B' ' 13' ' ' SER . 0.0 OUTLIER -70.53 -27.87 32.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.195 179.41 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -67.7 -32.54 73.25 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.828 175.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.741 ' O ' HG23 ' B' ' 22' ' ' VAL . 34.4 t70 -68.48 -42.39 78.74 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.453 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 26.3 mmt -52.57 -45.28 66.38 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.554 0.533 . . . . 0.0 110.791 176.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 71.8 mt -58.69 -42.57 85.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.296 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.635 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -66.47 -37.94 86.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.868 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 18' ' ' ASP . 44.8 t -58.56 -45.45 90.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.264 177.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 19' ' ' MET . 65.3 mt -64.66 -44.36 90.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.984 176.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -59.88 -27.62 66.85 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.361 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.635 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 92.0 mttt -58.06 -50.0 74.94 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.075 0.464 . . . . 0.0 110.811 178.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -97.81 -18.45 18.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.544 -175.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 tttm 57.02 58.86 3.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.76 0.791 . . . . 0.0 109.266 -177.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.42 157.12 36.76 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.115 -173.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.519 ' HD2' HD12 ' B' ' 32' ' ' LEU . 57.9 Cg_endo -71.92 172.12 15.24 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.638 2.225 . . . . 0.0 112.194 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.55 ' HB ' ' HB3' ' A' ' 48' ' ' SER . 29.7 m -60.26 -32.53 50.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -176.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.568 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.2 m-20 -63.52 -55.64 22.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.645 0.26 . . . . 0.0 110.852 -177.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.519 HD12 ' HD2' ' B' ' 29' ' ' PRO . 84.2 mt -61.33 -39.44 90.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.78 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 40.8 t -61.73 -38.9 89.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.536 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -73.73 -39.88 63.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.947 -176.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 31' ' ' ASP . 48.2 mt -70.12 -36.23 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.884 -178.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.55 -45.17 94.88 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 174.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.56 -39.86 95.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.538 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.88 -51.76 57.0 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.675 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -62.1 -40.01 94.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.735 0.302 . . . . 0.0 110.406 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 14.1 tpt -64.39 -47.24 79.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.839 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.81 75.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.621 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.8 m -58.19 -49.31 77.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.364 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -54.32 -50.18 67.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.135 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 58.9 mt -67.58 -40.97 84.84 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.5 mt -74.67 -10.57 59.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.523 ' HB ' ' HG3' ' A' ' 72' ' ' ARG . 25.5 p -105.78 -2.83 22.72 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.509 -0.476 . . . . 0.0 112.175 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.6 p -131.54 -41.81 1.06 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -175.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -112.39 28.67 8.57 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -167.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.45 153.89 50.36 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.56 ' HD2' HD22 ' B' ' 57' ' ' LEU . 67.1 Cg_exo -52.22 112.04 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.54 2.16 . . . . 0.0 111.277 175.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -28.46 67.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -172.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 33.5 p -83.45 -33.57 25.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.223 0.535 . . . . 0.0 111.724 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -103.93 16.27 26.71 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.352 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 17.3 p -56.59 -44.52 81.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.468 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -54.49 -46.68 73.47 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.353 0.597 . . . . 0.0 110.738 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.7 -43.99 78.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.459 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.56 HD22 ' HD2' ' B' ' 50' ' ' PRO . 9.8 mp -70.8 -37.54 73.29 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.37 -49.29 78.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 0.0 110.455 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -71.29 -31.52 67.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.007 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.52 -49.83 69.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.063 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.435 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 38.1 t80 -63.01 -46.44 87.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.823 0.344 . . . . 0.0 110.573 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.57 ' HB2' ' OG ' ' A' ' 62' ' ' SER . 8.5 p -64.9 -52.65 55.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.366 -176.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.408 ' HA ' HG12 ' B' ' 66' ' ' ILE . 88.5 m-20 -66.15 -26.17 67.31 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.616 0.246 . . . . 0.0 111.165 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 27.1 t -64.65 -40.21 95.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 91.8 mt -63.32 -42.6 99.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.291 178.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.427 HG12 ' O ' ' B' ' 62' ' ' SER . 13.5 mm -57.38 -48.43 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.413 0.625 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -68.6 -40.32 80.51 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.151 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.77 80.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.488 HG11 ' SG ' ' A' ' 54' ' ' CYS . 97.1 t -61.05 -48.83 87.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.414 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -55.64 -53.18 59.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.4 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 26.1 m -70.64 -26.26 63.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.681 -174.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -52.38 12.84 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 176.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.68 -28.46 69.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.904 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -55.62 120.51 7.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.788 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -87.03 63.36 7.88 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 177.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -62.91 133.11 54.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.459 -173.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -82.83 171.74 13.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.824 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' HIS . . . . . 0.486 ' O ' ' HB2' ' B' ' 79' ' ' HIS . 28.5 m80 -126.5 32.51 5.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.14 -174.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' HIS . . . . . 0.486 ' HB2' ' O ' ' B' ' 78' ' ' HIS . 34.1 m80 71.98 148.55 0.09 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.239 -171.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.961 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.6 m . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 120.403 0.145 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.13 -29.63 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 173.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.41 -38.97 74.7 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.043 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -72.01 -43.36 65.15 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' ' 16' ' ' VAL . 54.3 tp -59.05 -54.75 43.5 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.94 178.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.7 p -56.35 -37.52 70.13 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.405 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.72 94.21 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.829 0.347 . . . . 0.0 110.809 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.22 -50.31 69.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.7 t -65.93 -38.07 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.454 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -55.87 -47.64 76.97 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.821 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 22' ' ' VAL . 38.5 t70 -66.16 -48.22 71.48 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.583 ' SD ' ' HG3' ' B' ' 19' ' ' MET . 52.1 tpp -51.49 -46.65 63.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.079 0.466 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.8 mt -70.16 -44.1 78.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.564 ' O ' ' HG2' ' A' ' 25' ' ' LYS . . . -65.37 -35.0 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 0.0 111.433 -177.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.662 HG11 HG11 ' B' ' 22' ' ' VAL . 92.2 t -70.01 -45.3 76.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.221 177.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 33' ' ' SER . 48.8 tp -61.78 -34.61 76.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.013 176.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.51 -33.26 75.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.271 177.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 42.1 mmtm -66.54 -44.27 82.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.786 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -75.04 -30.68 61.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 tptm 60.76 75.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.929 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.26 139.9 48.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.498 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -78.5 41.05 0.98 Allowed 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.184 2.589 . . . . 0.0 113.026 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 66.7 t 72.54 -53.54 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 123.223 0.609 . . . . 0.0 111.798 178.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.519 ' O ' HG13 ' A' ' 35' ' ' ILE . 25.6 t70 -56.93 -55.76 30.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.033 -177.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.2 mt -58.96 -41.6 87.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.022 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.449 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.5 p -66.93 -29.86 69.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.613 0.244 . . . . 0.0 111.501 -177.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 83.7 mt -74.89 -29.25 60.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.751 0.31 . . . . 0.0 110.335 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 31' ' ' ASP . 38.5 mt -72.88 -41.56 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.138 177.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.443 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.41 -42.04 95.16 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.132 0.491 . . . . 0.0 109.918 174.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.551 ' HG ' HD11 ' B' ' 37' ' ' LEU . 7.6 tt -61.36 -45.89 92.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.501 175.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.25 -48.4 86.14 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.392 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -54.84 -49.17 71.74 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 110.517 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.6 tpt -69.08 -41.12 77.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.282 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.83 -46.64 87.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.614 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.9 m -59.7 -46.97 87.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.146 0.498 . . . . 0.0 110.172 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -56.39 -47.65 78.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.885 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.74 -44.56 70.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.459 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.37 -10.13 58.17 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.6 p -109.37 5.87 23.87 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.456 -0.497 . . . . 0.0 111.518 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.9 m -133.43 -45.28 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -175.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -113.18 28.1 9.06 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -168.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.0 m -123.32 150.89 61.55 Favored Pre-proline 0 C--N 1.324 -0.509 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.46 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.69 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . 32.3 Cg_exo -58.73 128.96 30.03 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.515 2.144 . . . . 0.0 111.131 174.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -60.98 -43.52 98.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.007 0.432 . . . . 0.0 111.409 -171.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.441 HG23 ' HG3' ' A' ' 53' ' ' GLN . 14.7 t -90.94 -9.48 45.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.461 -174.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.69 ' HB2' ' HB2' ' A' ' 50' ' ' PRO . 50.0 mt-30 -117.96 19.34 13.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.072 0.463 . . . . 0.0 110.47 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 p -61.18 -45.99 92.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.318 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -64.61 -42.81 95.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.59 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.67 -55.51 29.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.618 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.59 -34.62 78.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.31 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.2 89.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.76 0.314 . . . . 0.0 110.714 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.52 HE21 ' CA ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -68.59 -39.74 80.79 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.154 177.2 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.04 91.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.57 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 21.4 t80 -58.59 -50.91 72.09 Favored 'General case' 0 N--CA 1.461 0.097 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.65 ' O ' HG12 ' A' ' 66' ' ' ILE . 23.8 t -59.82 -54.79 42.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.395 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -52.06 -44.67 64.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.369 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.2 t -63.22 -35.17 79.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.692 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 57.4 mt -75.23 -38.08 60.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.507 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.65 HG12 ' O ' ' A' ' 62' ' ' SER . 21.0 mm -61.02 -43.73 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -61.56 -40.44 94.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.414 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.99 98.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.65 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 65' ' ' LEU . 92.5 t -63.06 -42.28 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.656 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -57.84 -53.92 52.71 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.9 m -73.29 -17.41 61.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.179 0.514 . . . . 0.0 111.25 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.702 ' HE ' ' HA ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -72.44 -56.18 5.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.116 0.484 . . . . 0.0 109.77 174.33 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.78 -49.78 69.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.491 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.434 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 47.9 t . . . . . 0 N--CA 1.442 -0.84 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -22.97 66.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.162 177.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.94 -50.0 22.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.181 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.459 ' O ' HG13 ' B' ' 15' ' ' ILE . 19.3 mt-30 -60.98 -40.28 92.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.83 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.653 ' O ' HG23 ' B' ' 16' ' ' VAL . 65.1 tp -58.63 -54.46 46.79 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.962 177.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 31.0 m -55.63 -39.87 71.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.024 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.71 95.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.944 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 11' ' ' GLN . 83.5 mt -62.76 -50.29 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.7 t -63.92 -38.19 81.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.15 0.5 . . . . 0.0 110.119 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.17 -49.79 72.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.053 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.429 ' O ' HG13 ' B' ' 22' ' ' VAL . 28.0 t70 -71.6 -27.97 63.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.374 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.583 ' HG3' ' SD ' ' A' ' 19' ' ' MET . 53.4 ttp -60.05 -41.73 92.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.244 0.545 . . . . 0.0 110.197 175.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 73.7 mt -67.33 -41.4 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.851 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.86 -48.36 82.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.701 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.662 HG11 HG11 ' A' ' 22' ' ' VAL . 23.4 m -66.81 -27.89 41.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 120.679 0.275 . . . . 0.0 110.989 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 57.4 tp -65.42 -51.65 58.79 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.791 173.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.02 -28.67 70.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.821 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' B' ' 22' ' ' VAL . 36.5 ttpt -63.3 -28.92 70.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.888 176.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -101.59 -19.53 15.43 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 64.03 81.39 0.21 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.68 0.613 . . . . 0.0 111.141 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.09 135.78 26.26 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.717 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.452 ' HD2' HD12 ' B' ' 32' ' ' LEU . 42.8 Cg_endo -69.14 166.05 28.15 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.183 1.922 . . . . 0.0 111.117 174.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.63 -33.74 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.508 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.668 ' O ' HG12 ' B' ' 35' ' ' ILE . 5.8 m-20 -59.61 -67.39 0.38 Allowed 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.933 0.397 . . . . 0.0 110.61 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.452 HD12 ' HD2' ' B' ' 29' ' ' PRO . 95.5 mt -58.15 -34.68 70.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.581 -177.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.4 t -62.8 -37.58 87.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.398 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.2 mt -77.27 -34.03 55.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.692 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.668 HG12 ' O ' ' B' ' 31' ' ' ASP . 25.8 mm -64.11 -45.81 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.094 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -61.66 -42.94 99.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.542 176.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.551 HD11 ' HG ' ' A' ' 37' ' ' LEU . 42.8 tp -65.37 -39.29 92.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.548 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.31 -47.34 90.35 Favored Glycine 0 C--O 1.236 0.231 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.285 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -61.92 -42.93 99.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.961 0.41 . . . . 0.0 110.194 176.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.452 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 27.4 ttt -62.08 -51.91 66.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.143 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.73 -51.47 65.52 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.467 ' OG ' HD22 ' A' ' 65' ' ' LEU . 17.1 m -63.84 -45.55 89.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.244 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -62.57 -39.56 94.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.453 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 40' ' ' MET . 56.3 mt -67.44 -47.07 71.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.835 0.35 . . . . 0.0 111.117 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.03 -25.58 68.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.305 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 17.0 p -97.07 12.97 30.73 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.581 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 23.7 m -133.68 -50.72 0.85 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.837 0.351 . . . . 0.0 111.842 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.5 m -80.62 -35.42 34.06 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -171.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.541 HG23 ' HB3' ' B' ' 54' ' ' CYS . 4.8 m -117.63 162.12 30.38 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -174.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 10.6 Cg_endo -53.9 127.18 24.54 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 123.552 2.835 . . . . 0.0 113.194 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -54.78 -54.5 41.3 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.568 -174.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 12.7 t -69.84 -10.74 59.56 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -108.72 -35.65 6.36 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.395 -175.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . 0.541 ' HB3' HG23 ' B' ' 49' ' ' VAL . 27.2 p -63.05 -31.28 72.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.702 0.287 . . . . 0.0 110.727 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.46 -44.12 89.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.452 176.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.88 -43.73 74.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.567 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.42 -37.62 86.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.781 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.54 81.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.199 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.563 HE21 HG13 ' A' ' 66' ' ' ILE . 40.9 mm-40 -61.25 -48.68 80.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.072 176.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.64 75.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.697 0.284 . . . . 0.0 111.314 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -64.93 -41.21 95.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.457 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.617 ' O ' HG12 ' B' ' 66' ' ' ILE . 37.8 t -62.44 -49.2 76.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.293 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.42 ' N ' HD22 ' B' ' 63' ' ' ASN . 0.9 OUTLIER -61.43 -34.36 75.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.488 178.755 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 13.8 t -64.23 -40.25 95.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.057 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.78 -38.18 90.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.304 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.617 HG12 ' O ' ' B' ' 62' ' ' SER . 21.9 mm -61.5 -43.58 97.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.446 ' HA ' ' HE3' ' B' ' 70' ' ' LYS . 54.9 t30 -60.97 -38.93 87.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.436 178.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.27 -52.41 64.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.803 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.76 -46.47 96.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' B' ' 67' ' ' ASN . 25.5 ttpp -54.36 -54.01 46.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.115 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 5.4 m -81.41 -1.15 44.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.553 -174.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -80.03 -38.06 32.74 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 169.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 172.799 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.441 -0.881 0 CA-C-O 121.021 0.438 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -60.92 -18.93 59.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.587 172.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.45 -38.66 29.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.951 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.68 -45.47 68.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.939 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.683 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.2 tp -60.53 -56.51 20.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.758 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.3 m -55.58 -36.38 66.81 Favored 'General case' 0 C--N 1.332 -0.172 0 O-C-N 123.269 0.356 . . . . 0.0 111.276 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.51 98.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 110.78 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -73.33 -44.51 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.234 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.8 t -64.65 -42.74 95.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.986 0.422 . . . . 0.0 110.485 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -70.62 -27.74 64.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.628 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.665 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.3 t0 -66.36 -47.93 71.84 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 177.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.9 mmt -58.55 -33.39 69.85 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.3 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 16' ' ' VAL . 71.8 mt -61.21 -44.53 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.108 0.48 . . . . 0.0 109.844 175.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.89 -33.11 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.197 177.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 18' ' ' ASP . 68.7 t -61.84 -40.26 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.298 175.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.03 -41.23 91.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.256 175.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -73.3 -17.53 61.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.94 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -76.08 -13.95 60.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.358 0.599 . . . . 0.0 110.289 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -122.69 -30.32 3.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.927 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 61.98 75.0 0.42 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.987 -178.545 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.57 139.22 20.44 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.485 ' HG2' ' OD1' ' A' ' 31' ' ' ASP . 59.0 Cg_endo -74.29 39.2 0.52 Allowed 'Trans proline' 0 CA--C 1.535 0.575 0 C-N-CA 123.232 2.621 . . . . 0.0 114.405 -172.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.6 t 75.12 -52.76 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 123.467 0.707 . . . . 0.0 112.136 175.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.492 ' O ' HG13 ' A' ' 35' ' ' ILE . 19.5 p-10 -64.78 -50.6 66.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.758 0.314 . . . . 0.0 110.268 -177.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.0 tp -64.11 -31.79 73.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.488 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -64.44 -42.34 96.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.382 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.1 mt -72.75 -23.88 60.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.42 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 31' ' ' ASP . 71.1 mt -68.61 -45.33 81.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 0.0 110.354 175.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -59.39 -47.61 84.79 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.279 0.562 . . . . 0.0 110.544 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.78 -21.29 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.679 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.43 -47.56 34.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.209 -0.52 . . . . 0.0 112.08 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.55 -34.74 76.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.107 0.479 . . . . 0.0 110.063 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.3 ttt -69.46 -48.39 60.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.885 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.91 63.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.6 p -62.2 -40.86 97.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.088 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -58.04 -49.41 76.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.735 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.651 HD13 HG13 ' B' ' 30' ' ' VAL . 68.1 mt -69.02 -42.22 76.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.284 -177.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 86.0 mt -66.12 -21.09 66.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.526 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.5 p -100.53 -4.53 28.48 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.608 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -117.64 -41.67 2.92 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -176.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 m -89.34 -62.72 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.703 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 32.8 m -74.07 164.11 63.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 C-N-CA 121.305 -0.158 . . . . 0.0 111.012 -176.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.703 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 14.9 Cg_endo -57.57 115.61 2.63 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.675 2.25 . . . . 0.0 112.46 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.702 ' HB3' HD11 ' B' ' 73' ' ' LEU . 25.8 mp0 -58.14 -37.43 74.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.209 -178.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.582 HG23 ' HG2' ' A' ' 53' ' ' GLN . 11.3 t -73.28 -8.12 54.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.666 -177.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.791 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -124.07 9.67 8.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.348 -179.196 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.555 ' SG ' HG11 ' B' ' 69' ' ' VAL . 25.5 t -63.69 -54.93 27.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.361 -171.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.691 ' HB3' HG23 ' B' ' 66' ' ' ILE . 1.6 mp0 -62.79 -34.97 78.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.004 0.43 . . . . 0.0 110.478 -177.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.96 -51.07 61.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.568 HD13 ' HB3' ' A' ' 53' ' ' GLN . 10.8 mp -72.58 -38.45 67.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.464 -177.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.97 95.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.728 0.299 . . . . 0.0 110.403 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -62.73 -43.29 99.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.263 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.74 -48.72 80.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -65.83 -41.82 91.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.813 0.339 . . . . 0.0 110.232 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.596 ' O ' HG12 ' A' ' 66' ' ' ILE . 38.8 t -57.97 -53.26 60.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.392 178.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.456 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . 96.1 m-20 -63.44 -27.97 69.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.385 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 m -63.54 -37.42 87.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.127 0.489 . . . . 0.0 110.112 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 69' ' ' VAL . 85.8 mt -74.93 -34.24 62.07 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.207 175.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.596 HG12 ' O ' ' A' ' 62' ' ' SER . 42.8 mm -59.62 -41.8 86.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.19 0.519 . . . . 0.0 109.741 174.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -65.71 -32.32 73.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.531 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.78 -39.37 84.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.069 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 65' ' ' LEU . 98.0 t -60.1 -43.78 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.998 173.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.73 -32.63 70.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.32 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 26.3 m -68.45 -27.46 66.19 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.596 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -74.37 -25.59 59.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.023 0.439 . . . . 0.0 110.499 173.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mp -81.71 -12.58 58.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.946 173.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 171.839 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.481 ' HB2' ' CB ' ' B' ' 11' ' ' GLN . 18.3 m . . . . . 0 N--CA 1.443 -0.796 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -65.74 -16.92 64.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.332 0.587 . . . . 0.0 109.715 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.31 -35.74 23.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.793 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.481 ' CB ' ' HB2' ' B' ' 8' ' ' SER . 64.6 tt0 -72.79 -43.45 62.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.73 177.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.632 ' O ' HG23 ' B' ' 16' ' ' VAL . 64.9 tp -58.42 -54.37 47.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.512 178.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 21.8 p -55.6 -42.74 75.29 Favored 'General case' 0 C--N 1.333 -0.152 0 O-C-N 123.304 0.377 . . . . 0.0 111.005 -177.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.14 -41.18 78.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.951 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 11' ' ' GLN . 74.0 mt -68.43 -46.83 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.134 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.632 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.6 t -63.59 -42.82 97.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 121.131 0.491 . . . . 0.0 109.771 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -69.66 -19.55 63.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.417 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.801 ' O ' HG23 ' B' ' 22' ' ' VAL . 34.4 t70 -74.14 -48.5 28.97 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 26.0 mmt -56.9 -43.25 81.16 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.724 0.64 . . . . 0.0 110.476 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.57 -41.48 90.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.27 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.587 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -63.58 -40.79 97.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.428 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.801 HG23 ' O ' ' B' ' 18' ' ' ASP . 25.2 t -58.19 -42.11 82.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.495 177.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.98 -32.19 71.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.57 -23.29 53.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.704 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 71.7 mmtt -75.02 -52.06 12.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.429 . . . . 0.0 110.386 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -89.5 -22.19 22.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.815 -175.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm 65.49 90.14 0.09 Allowed 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.836 0.71 . . . . 0.0 110.819 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.87 124.24 18.58 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.039 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.39 162.41 42.46 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.372 2.048 . . . . 0.0 111.946 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.651 HG13 HD13 ' A' ' 44' ' ' LEU . 61.8 t -51.14 -34.13 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.392 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.37 -69.01 0.16 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.263 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.421 HD23 HD12 ' B' ' 35' ' ' ILE . 68.6 mt -64.22 -34.77 78.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.763 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 46.4 t -64.81 -34.42 78.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.606 0.241 . . . . 0.0 110.657 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 19.0 tp -69.93 -39.32 76.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.087 0.47 . . . . 0.0 109.913 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.421 HD12 HD23 ' B' ' 32' ' ' LEU . 57.4 mt -62.54 -40.84 89.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.418 176.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.492 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -62.57 -41.78 99.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.714 176.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 51.6 tp -63.12 -40.09 96.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.42 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.71 98.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.321 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -62.23 -44.41 96.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.474 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 49.4 ttm -61.04 -48.3 82.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.777 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.53 -43.82 72.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.711 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 16.8 m -60.78 -49.31 77.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.461 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.29 -43.03 92.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.978 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 40' ' ' MET . 61.0 mt -69.33 -40.3 77.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.303 -177.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.492 ' HA ' HG22 ' B' ' 49' ' ' VAL . 96.4 mt -76.19 -13.48 60.18 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.652 -177.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 22.3 p -105.44 -0.35 26.09 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.567 -0.453 . . . . 0.0 112.062 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 39.2 m -141.71 -37.52 0.41 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -174.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.7 m -92.83 -30.68 15.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.061 -0.399 . . . . 0.0 111.786 -169.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' B' ' 45' ' ' LEU . 35.4 m -106.28 154.65 39.6 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.748 -0.206 . . . . 0.0 110.544 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.619 ' HB2' ' HG2' ' B' ' 53' ' ' GLN . 31.4 Cg_exo -59.44 107.89 0.41 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.498 2.132 . . . . 0.0 111.476 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.555 ' HA ' ' HB2' ' B' ' 54' ' ' CYS . 21.1 pt20 -60.0 -33.47 72.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -172.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -60.4 -30.01 69.33 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.94 0.4 . . . . 0.0 111.413 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.619 ' HG2' ' HB2' ' B' ' 50' ' ' PRO . 19.8 pt20 -122.36 18.92 10.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.057 0.456 . . . . 0.0 110.137 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . 0.555 ' HB2' ' HA ' ' B' ' 51' ' ' GLN . 49.4 t -59.69 -39.45 84.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.872 -177.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.03 -39.94 79.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.783 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.07 92.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 57' ' ' LEU . 4.2 mm? -69.17 -44.94 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.723 178.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.83 -46.0 83.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.555 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.555 ' NE2' HG13 ' A' ' 66' ' ' ILE . 73.1 mm-40 -64.12 -34.94 79.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.449 0.166 . . . . 0.0 110.856 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.57 -49.45 76.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.927 0.394 . . . . 0.0 110.496 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.407 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 30.2 t80 -64.16 -40.8 96.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.989 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.61 ' O ' HG12 ' B' ' 66' ' ' ILE . 23.0 t -59.47 -58.92 6.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.731 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -58.97 -34.66 72.06 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.874 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -67.02 -32.4 73.59 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.646 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 87.4 mt -75.54 -39.23 58.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.144 177.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.691 HG23 ' HB3' ' A' ' 55' ' ' GLU . 39.2 mm -55.99 -48.48 78.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 121.01 0.434 . . . . 0.0 110.597 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -65.12 -44.11 89.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.871 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.35 -48.69 80.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.809 0.337 . . . . 0.0 111.267 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.555 HG11 ' SG ' ' A' ' 54' ' ' CYS . 68.9 t -63.24 -46.18 96.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' B' ' 70' ' ' LYS . 23.5 ttmm -61.74 -34.55 76.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.771 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 56.4 m -71.13 -27.74 63.79 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.929 0.395 . . . . 0.0 110.88 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -75.04 -36.05 61.87 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.682 0.277 . . . . 0.0 110.395 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 51' ' ' GLN . 4.3 mm? . . . . . 0 C--O 1.233 0.228 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 172.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.559 ' HB2' ' HG2' ' A' ' 11' ' ' GLN . 15.8 m . . . . . 0 N--CA 1.444 -0.732 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -61.46 -25.01 66.96 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 175.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.35 -37.7 60.52 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.55 177.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.559 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 15.7 mm100 -67.12 -42.11 85.06 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.554 176.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 16' ' ' VAL . 43.7 tp -57.57 -53.93 52.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.345 176.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -51.03 -47.57 61.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.48 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.61 87.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.321 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.492 ' O ' ' HG2' ' A' ' 19' ' ' MET . 73.8 mt -67.99 -45.37 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.799 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.0 t -65.92 -38.65 82.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.9 0.381 . . . . 0.0 110.018 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.419 HD22 ' HA ' ' A' ' 17' ' ' ASN . 8.6 m120 -62.26 -39.21 92.15 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.538 176.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.735 ' O ' HG23 ' A' ' 22' ' ' VAL . 30.9 t70 -62.81 -50.15 72.12 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 14.4 mmt -51.75 -46.01 63.91 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.432 0.458 . . . . 0.0 111.118 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 16' ' ' VAL . 76.9 mt -62.35 -44.6 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.42 -40.53 85.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.085 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 18' ' ' ASP . 59.2 t -58.13 -48.39 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.174 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.0 tp -64.39 -44.15 92.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.488 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.67 -50.95 66.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.071 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -82.56 -8.46 59.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.985 -171.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -93.0 -28.9 16.12 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 tttm 54.73 85.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.406 -1.27 . . . . 0.0 111.881 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.47 130.27 22.96 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.411 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.52 160.52 42.6 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.221 1.947 . . . . 0.0 111.223 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 52.1 t -51.4 -30.63 10.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 123.683 0.614 . . . . 0.0 111.826 -175.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.493 ' O ' HG13 ' A' ' 35' ' ' ILE . 20.2 m-20 -68.54 -55.56 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.248 0.546 . . . . 0.0 110.375 -178.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.01 -32.06 68.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.461 -173.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.405 ' O ' HD23 ' A' ' 37' ' ' LEU . 25.4 p -63.93 -41.57 97.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 110.305 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 88.8 mt -66.42 -39.17 88.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.872 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 31' ' ' ASP . 44.1 mt -70.35 -39.05 76.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.803 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.469 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -61.1 -49.73 76.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.768 0.318 . . . . 0.0 110.309 176.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 33' ' ' SER . 4.1 mm? -59.26 -42.57 91.5 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.27 175.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.94 -55.45 27.87 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.834 -0.621 . . . . 0.0 113.049 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -61.57 -42.34 98.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.844 0.355 . . . . 0.0 110.765 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.6 tpt -66.26 -44.65 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.439 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.46 86.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.607 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.7 m -60.17 -47.98 83.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.956 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -58.08 -42.86 86.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.809 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.2 mt -65.23 -50.04 67.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.89 -22.15 65.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.853 0.358 . . . . 0.0 111.256 -177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 p -101.2 13.79 34.0 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.78 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.4 m -136.55 -50.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.8 p -94.98 -39.64 10.08 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -167.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.6 m -80.6 152.35 72.51 Favored Pre-proline 0 C--N 1.325 -0.497 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.15 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.495 ' HG2' ' HB2' ' A' ' 53' ' ' GLN . 6.3 Cg_endo -48.77 127.79 17.33 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.416 2.744 . . . . 0.0 111.79 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -64.58 -30.71 71.74 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -172.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.5 m -75.63 -20.23 58.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.375 0.607 . . . . 0.0 110.523 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.499 ' HB3' HD13 ' A' ' 57' ' ' LEU . 10.3 mm100 -112.26 13.32 20.41 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -176.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 44.0 t -55.2 -53.68 52.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.62 -173.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -82.3 -27.16 32.48 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.573 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.19 -46.96 86.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.378 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' A' ' 53' ' ' GLN . 10.2 mp -73.75 -29.54 62.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.654 177.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.64 75.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.01 0.434 . . . . 0.0 110.457 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.73 -30.62 68.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 178.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.72 73.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.503 176.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.4 ' O ' HD23 ' A' ' 65' ' ' LEU . 92.2 t80 -59.73 -40.96 89.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.084 0.469 . . . . 0.0 110.146 176.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.613 ' O ' HG12 ' A' ' 66' ' ' ILE . 49.4 m -59.67 -60.44 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.27 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -64.46 -35.19 80.13 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.5 p -66.62 -36.49 82.72 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.646 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 61' ' ' PHE . 3.6 mm? -68.54 -37.49 80.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.717 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.613 HG12 ' O ' ' A' ' 62' ' ' SER . 16.0 mm -58.98 -46.77 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -61.94 -45.43 93.7 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.879 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.91 79.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.328 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.9 t -63.82 -43.13 97.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.975 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.36 -36.67 84.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.069 0.461 . . . . 0.0 110.96 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.3 m -70.32 -32.36 70.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.971 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HD2' HG21 ' B' ' 46' ' ' THR . 89.9 mtt180 -80.54 -23.62 39.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.97 0.414 . . . . 0.0 110.604 178.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.7 tp -69.89 -40.57 75.58 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 172.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.092 175.016 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.438 -1.074 0 CA-C-O 120.915 0.388 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.25 -19.95 56.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.545 176.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.46 -30.53 33.38 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.67 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -80.39 -29.8 37.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.41 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.7 ' O ' HG23 ' B' ' 16' ' ' VAL . 42.5 tp -63.79 -55.55 22.23 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 174.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 3.0 p -55.66 -38.4 69.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.352 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.69 -30.03 69.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.601 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.62 HG22 ' O ' ' B' ' 12' ' ' LEU . 6.5 tp -82.72 -34.0 11.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.542 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.7 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.4 t -74.65 -40.47 47.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -68.22 -25.8 65.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.208 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.732 ' O ' HG23 ' B' ' 22' ' ' VAL . 9.5 t70 -64.72 -52.27 58.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 174.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 65.5 mtt -56.37 -41.22 75.83 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.269 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 16' ' ' VAL . 73.3 mt -56.92 -47.59 82.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.129 0.49 . . . . 0.0 110.157 176.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -67.35 -36.92 82.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.764 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 18' ' ' ASP . 42.0 t -60.13 -42.51 90.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.204 0.526 . . . . 0.0 110.177 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.16 -46.36 89.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.632 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -65.01 -26.78 68.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.24 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 64.7 mttp -73.91 -14.69 61.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.959 0.409 . . . . 0.0 110.819 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -106.95 -30.5 8.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.408 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 15.7 ttpp 57.5 37.67 27.79 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 110.217 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.462 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -73.28 143.67 83.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.814 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 11.4 Cg_exo -68.89 154.33 71.15 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.599 2.199 . . . . 0.0 110.86 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.6 p -61.99 -29.0 45.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.683 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.605 ' O ' HG13 ' B' ' 35' ' ' ILE . 17.4 m-20 -60.4 -63.45 1.29 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.314 0.578 . . . . 0.0 109.735 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 19.3 tp -63.81 -36.42 83.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.673 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.0 t -59.37 -48.94 79.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.013 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 58.6 mt -71.11 -18.54 62.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.58 -177.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.605 HG13 ' O ' ' B' ' 31' ' ' ASP . 62.7 mt -75.69 -45.78 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.434 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -62.17 -52.92 61.87 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.619 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.85 -27.48 67.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.785 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.88 -48.39 61.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.012 176.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -64.46 -33.14 75.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.749 0.309 . . . . 0.0 110.861 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -71.69 -46.48 58.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.44 -52.3 65.16 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.2 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.2 p -61.73 -45.12 95.32 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.69 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -53.76 -54.28 40.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.764 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.72 -40.63 97.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.556 -177.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.416 ' HB3' ' SG ' ' B' ' 54' ' ' CYS . 88.4 mt -69.61 -16.65 63.43 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.714 -177.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.475 HG21 ' HD2' ' A' ' 72' ' ' ARG . 6.9 p -112.87 12.55 19.48 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.718 176.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 25.6 m -130.48 -43.72 1.13 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.392 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.5 m -86.07 -44.08 12.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.546 0.213 . . . . 0.0 111.39 -173.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.408 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 27.3 m -99.38 158.76 31.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.971 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 33.7 Cg_endo -64.69 119.1 6.05 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.667 2.244 . . . . 0.0 111.461 175.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -55.35 -38.88 69.34 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 38.6 m -62.79 -39.45 94.28 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 111.228 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -93.03 -6.12 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.341 0.591 . . . . 0.0 110.417 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' B' ' 45' ' ' LEU . 36.3 t -63.1 -30.35 71.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.52 -175.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -59.64 -49.31 78.23 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.588 ' HA ' HE21 ' B' ' 59' ' ' GLN . . . -65.27 -38.38 90.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.505 178.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -51.34 70.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.582 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.5 -35.51 80.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.375 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.588 HE21 ' HA ' ' B' ' 56' ' ' ALA . 20.8 mt-30 -63.92 -40.43 96.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.826 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.28 -41.91 80.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.93 0.395 . . . . 0.0 110.355 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -59.13 -52.81 64.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.761 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.646 ' O ' HG12 ' B' ' 66' ' ' ILE . 7.9 p -60.36 -52.2 66.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.93 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -55.52 -43.94 76.18 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 24.2 m -66.85 -33.66 76.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.985 0.421 . . . . 0.0 110.054 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 30.0 tp -64.76 -47.53 77.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.339 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.646 HG12 ' O ' ' B' ' 62' ' ' SER . 9.8 mm -60.52 -42.94 93.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 121.437 0.637 . . . . 0.0 109.722 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -63.81 -40.6 97.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.091 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.72 99.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.843 0.354 . . . . 0.0 110.799 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.68 -49.71 83.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.202 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -56.71 -34.79 67.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.53 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 54.3 m -70.0 -37.37 75.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.116 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -77.34 -29.94 53.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.956 0.408 . . . . 0.0 110.306 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.601 175.434 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.427 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 45.1 t . . . . . 0 N--CA 1.444 -0.732 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -63.8 -21.51 66.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.495 0.664 . . . . 0.0 109.272 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.65 -40.79 40.6 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.01 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.538 ' O ' HG13 ' A' ' 15' ' ' ILE . 77.8 mt-30 -72.53 -27.46 62.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.15 176.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 tp -56.26 -59.01 5.56 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.723 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 m -55.54 -39.44 70.58 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 123.411 0.444 . . . . 0.0 110.914 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.13 -37.82 78.16 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.214 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 11' ' ' GLN . 92.4 mt -68.21 -51.23 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.808 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -39.1 84.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.198 -177.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -62.8 -47.28 84.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.386 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.579 ' O ' HG23 ' A' ' 22' ' ' VAL . 28.6 t70 -59.64 -51.24 70.66 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.391 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.8 ttm -53.9 -42.97 69.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 86.4 mt -70.98 -47.07 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.129 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.12 82.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 111.105 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 18' ' ' ASP . 59.1 t -61.93 -40.13 86.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.375 0.607 . . . . 0.0 110.426 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.01 -45.08 95.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.626 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.45 -35.07 77.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.446 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -66.25 -40.61 90.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.761 0.315 . . . . 0.0 110.843 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -72.78 -24.66 60.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 174.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' A' ' 27' ' ' LYS . 17.5 ttmm 70.35 83.08 0.15 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.534 175.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.449 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -120.27 122.99 28.48 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.569 173.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.634 ' HD2' ' HB3' ' A' ' 32' ' ' LEU . 12.7 Cg_exo -66.78 164.35 29.74 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.538 2.159 . . . . 0.0 111.646 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 72.4 t -55.49 -40.43 58.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 111.124 -178.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 35' ' ' ILE . 1.6 p-10 -63.17 -55.09 28.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.347 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.634 ' HB3' ' HD2' ' A' ' 29' ' ' PRO . 61.9 tp -61.09 -42.7 99.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.003 0.43 . . . . 0.0 111.078 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.8 t -63.73 -35.34 80.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 1.3 tt -65.1 -36.56 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.975 0.417 . . . . 0.0 110.045 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 31' ' ' ASP . 51.6 mt -64.77 -46.27 92.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.55 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -64.14 -50.15 69.35 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.79 178.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.408 HD11 HD11 ' B' ' 37' ' ' LEU . 32.7 tp -63.23 -39.49 94.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.719 -178.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.52 -46.63 93.38 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.866 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -61.74 -46.22 90.55 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.6 ttt -59.51 -40.67 87.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.757 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.66 84.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.194 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.7 p -67.13 -38.54 85.74 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.842 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -61.05 -43.22 99.21 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.039 0.447 . . . . 0.0 110.346 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.3 tp -56.61 -52.65 64.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.198 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.432 ' HA ' HG22 ' A' ' 49' ' ' VAL . 91.2 mt -63.04 -32.08 73.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.339 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.0 p -93.28 15.74 14.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.576 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.9 m -140.93 -46.99 0.4 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.51 ' HB3' HG11 ' B' ' 30' ' ' VAL . 34.1 m -88.85 -54.54 4.09 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -171.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 45' ' ' LEU . 34.0 m -79.31 150.28 73.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.437 -174.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.21 131.87 41.42 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.17 2.58 . . . . 0.0 112.258 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -70.17 -26.06 63.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.73 -171.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.8 m -68.62 -24.29 64.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.247 0.546 . . . . 0.0 111.558 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.445 HE21 HD11 ' A' ' 57' ' ' LEU . 15.5 pt20 -130.09 26.76 5.17 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -175.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 42.7 t -60.68 -53.49 56.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.27 -175.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.33 -25.34 39.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.978 0.418 . . . . 0.0 110.118 -178.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.68 97.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.161 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.445 HD11 HE21 ' A' ' 53' ' ' GLN . 7.4 mp -74.01 -33.46 63.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.131 177.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.08 94.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.198 0.523 . . . . 0.0 110.33 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.93 -35.15 76.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.006 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.52 81.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.625 176.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -57.79 -48.92 78.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.67 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.662 ' O ' HG12 ' A' ' 66' ' ' ILE . 3.0 p -63.33 -45.67 90.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.471 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -63.14 -40.84 98.74 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.07 0.462 . . . . 0.0 111.123 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 t -64.82 -35.53 81.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.279 0.561 . . . . 0.0 109.544 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.2 -38.66 91.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.372 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.662 HG12 ' O ' ' A' ' 62' ' ' SER . 40.2 mm -56.35 -43.82 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 121.291 0.567 . . . . 0.0 109.936 176.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -66.67 -38.46 86.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.074 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.22 -46.07 85.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.45 -39.35 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.642 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 35.1 ttmt -56.76 -41.29 77.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.4 m -70.74 -33.5 70.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.708 0.289 . . . . 0.0 111.206 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -68.0 -38.22 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.191 0.519 . . . . 0.0 110.456 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.9 tp -77.89 -46.96 19.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.808 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 121.085 0.469 . . . . 0.0 110.941 -177.736 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.701 0.286 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -65.47 -24.23 67.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 174.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -36.95 73.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.059 172.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -69.52 -48.12 61.52 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.979 0.418 . . . . 0.0 110.095 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.604 ' O ' HG23 ' B' ' 16' ' ' VAL . 59.8 tp -57.46 -52.47 65.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.469 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 30.8 p -58.54 -38.98 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.453 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.63 84.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.768 0.318 . . . . 0.0 110.994 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.57 -46.67 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.604 HG23 ' O ' ' B' ' 12' ' ' LEU . 0.7 OUTLIER -67.33 -36.16 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.157 0.503 . . . . 0.0 109.915 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -63.57 -32.65 74.18 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.707 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.784 ' O ' HG23 ' B' ' 22' ' ' VAL . 27.0 t0 -70.08 -40.54 74.93 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.21 -40.38 89.93 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.721 176.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 16' ' ' VAL . 73.0 mt -61.68 -42.14 93.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.262 0.554 . . . . 0.0 110.021 175.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.25 -29.35 68.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.625 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.784 HG23 ' O ' ' B' ' 18' ' ' ASP . 60.0 t -65.66 -42.67 93.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.298 0.57 . . . . 0.0 109.629 176.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.26 -43.16 99.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.66 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -73.95 -23.93 59.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -57.97 -52.48 65.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.762 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -93.66 -18.56 22.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.506 -177.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 mttm 61.76 90.03 0.07 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.726 0.641 . . . . 0.0 110.97 -173.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.09 122.99 26.81 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.388 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.12 163.4 16.93 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.56 2.173 . . . . 0.0 111.321 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.57 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 26.0 m -61.68 -17.5 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.668 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.51 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.0 m-20 -76.44 -58.87 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.998 0.427 . . . . 0.0 110.117 175.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.46 -40.6 97.57 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.536 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -64.98 -35.1 80.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.566 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 20.3 tp -67.12 -35.72 80.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.286 -178.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.51 HG13 ' O ' ' B' ' 31' ' ' ASP . 32.7 mt -65.05 -44.2 95.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.418 178.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.54 86.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.52 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.408 HD11 HD11 ' A' ' 37' ' ' LEU . 54.3 tp -60.84 -45.72 93.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.522 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.31 -44.4 98.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.005 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -59.31 -48.35 81.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.402 . . . . 0.0 110.074 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.436 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 27.9 ttt -64.68 -46.65 81.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.033 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.57 -46.55 83.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.664 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.7 m -58.3 -49.36 77.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.594 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -43.64 95.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.714 -177.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' B' ' 40' ' ' MET . 68.9 mt -65.08 -47.41 77.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.853 0.359 . . . . 0.0 111.322 -178.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' B' ' 58' ' ' ALA . 95.7 mt -73.67 -13.69 61.03 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.628 -175.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 31.3 p -101.56 4.0 40.59 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.249 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.4 p -128.55 -47.69 1.29 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.678 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.7 m -76.1 -45.17 35.21 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -173.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.508 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 35.0 m -99.41 156.63 35.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.561 -178.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.508 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 18.9 Cg_endo -60.9 130.33 32.46 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.737 2.291 . . . . 0.0 112.74 -177.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -12.02 58.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.194 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 11.0 t -85.17 -12.71 52.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.115 0.483 . . . . 0.0 110.573 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 8.4 tp-100 -126.52 4.33 6.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.405 0.621 . . . . 0.0 109.726 -177.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 42.4 t -60.17 -56.51 20.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.945 -172.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.52 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.9 mp0 -59.59 -42.26 92.15 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.789 0.328 . . . . 0.0 110.555 -176.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.09 -35.23 69.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.646 -175.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 6.6 tp -73.79 -45.88 48.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.448 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.426 ' HB2' HD13 ' B' ' 45' ' ' LEU . . . -61.57 -42.33 98.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.614 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.53 -42.32 82.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.842 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.28 -46.08 91.08 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.313 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -61.29 -45.13 95.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 110.28 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.485 ' O ' HG12 ' B' ' 66' ' ' ILE . 20.1 m -64.65 -39.39 93.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.895 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.596 ' HA ' HG12 ' B' ' 66' ' ' ILE . 0.9 OUTLIER -67.03 -29.13 68.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.684 178.161 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.5 m -66.64 -36.07 81.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.962 0.41 . . . . 0.0 109.895 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.428 ' O ' HG23 ' B' ' 69' ' ' VAL . 9.6 mp -73.15 -27.5 61.7 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 175.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.596 HG12 ' HA ' ' B' ' 63' ' ' ASN . 52.1 mm -57.79 -46.24 87.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -61.27 -45.98 92.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.107 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.94 87.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.589 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 65' ' ' LEU . 54.6 t -56.41 -51.31 65.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 0.0 111.072 177.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -67.92 -27.0 66.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.022 0.439 . . . . 0.0 110.879 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 97.1 m -66.47 -32.76 74.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.023 0.44 . . . . 0.0 110.39 174.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -79.63 -36.54 37.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.061 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.557 -177.036 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.442 -0.856 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -60.1 -17.81 42.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.148 0.499 . . . . 0.0 109.697 172.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.77 -48.18 17.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.688 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.42 -40.05 74.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.395 0.616 . . . . 0.0 109.744 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.585 HD11 ' HB ' ' B' ' 35' ' ' ILE . 26.8 tp -53.69 -59.54 4.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.693 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.845 ' HA ' HG12 ' A' ' 16' ' ' VAL . 2.9 m -75.75 -23.38 55.98 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.299 -171.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -37.37 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.481 HD13 ' HB2' ' B' ' 28' ' ' ALA . 53.6 mt -66.65 -47.01 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.207 176.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.845 HG12 ' HA ' ' A' ' 13' ' ' SER . 9.3 p -72.53 -29.38 30.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.758 -178.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -70.27 -30.63 67.71 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.144 -0.347 . . . . 0.0 110.11 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.736 ' O ' HG23 ' A' ' 22' ' ' VAL . 19.5 t70 -69.16 -43.75 73.63 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.5 ttm -55.23 -38.03 67.95 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.777 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 16' ' ' VAL . 73.1 mt -64.63 -41.13 91.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.144 175.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.95 94.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.244 177.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 18' ' ' ASP . 24.4 t -56.23 -41.3 69.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.273 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.45 -49.11 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.853 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -61.72 -41.9 98.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.524 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -63.66 -36.52 84.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.418 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -90.61 -14.34 32.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.103 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 60.23 56.85 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.729 0.643 . . . . 0.0 110.612 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.59 127.29 55.11 Favored Pre-proline 0 N--CA 1.451 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.069 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.5 160.95 47.77 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.311 2.007 . . . . 0.0 111.259 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -57.86 -30.82 39.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.875 0.369 . . . . 0.0 110.221 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.557 ' O ' HG13 ' A' ' 35' ' ' ILE . 1.4 m-20 -57.89 -65.62 0.61 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.553 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.6 -34.34 72.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.324 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 t -65.6 -33.14 75.21 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.471 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tt -75.44 -36.66 60.7 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 31' ' ' ASP . 53.2 mt -68.31 -40.09 81.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.65 0.262 . . . . 0.0 110.474 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.63 93.03 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 174.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.13 -47.28 85.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.435 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.99 -48.93 83.46 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.509 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -62.14 -42.96 99.76 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.653 0.263 . . . . 0.0 110.749 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.6 tpt -67.54 -52.15 42.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -176.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.51 -46.48 70.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 111.17 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.6 t -62.99 -56.76 14.24 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.618 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -58.91 -46.0 88.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.67 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.53 -52.76 64.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.306 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.7 mt -72.43 -10.23 59.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.212 -175.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.511 HG21 ' HB2' ' B' ' 72' ' ' ARG . 32.0 p -109.42 3.74 21.73 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 176.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.4 p -130.51 -34.29 1.59 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.4 m -102.91 27.37 7.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.083 0.468 . . . . 0.0 111.513 -175.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.18 157.44 43.64 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.374 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.66 -69.05 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.993 2.462 . . . . 0.0 112.628 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -175.08 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.517 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.6 m -63.95 -27.49 69.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.277 0.56 . . . . 0.0 111.068 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.813 ' HB3' HD13 ' A' ' 57' ' ' LEU . 85.9 mt-30 -75.19 -5.74 46.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.384 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.4 t -55.04 -56.17 22.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.106 0.479 . . . . 0.0 110.801 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -77.91 -37.06 48.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.386 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.84 -50.14 75.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.119 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.813 HD13 ' HB3' ' A' ' 53' ' ' GLN . 9.1 mp -68.09 -35.83 78.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.47 77.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.744 0.307 . . . . 0.0 110.759 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.457 ' HG2' HD12 ' B' ' 66' ' ' ILE . 94.0 mt-30 -65.51 -44.25 87.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.53 87.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.786 0.327 . . . . 0.0 111.167 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 91.3 t80 -60.96 -48.32 82.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.115 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.594 ' HB2' ' CB ' ' B' ' 62' ' ' SER . 13.6 p -65.89 -43.2 88.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.529 -176.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.455 ' HA ' HG12 ' A' ' 66' ' ' ILE . 26.8 m-80 -67.21 -32.25 73.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.716 0.293 . . . . 0.0 111.104 177.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.5 t -63.67 -37.54 87.74 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 90.7 mt -61.82 -44.19 97.34 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.088 175.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 62' ' ' SER . 18.8 mm -55.8 -47.43 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.228 0.537 . . . . 0.0 109.984 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.412 HD22 ' HA ' ' A' ' 67' ' ' ASN . 10.9 m120 -62.47 -43.35 99.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.128 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.45 -46.56 89.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.86 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.444 ' HA ' ' CG2' ' B' ' 46' ' ' THR . 85.6 t -61.26 -48.16 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.627 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -62.68 -37.41 86.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.988 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.7 m -63.2 -46.16 88.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.625 0.25 . . . . 0.0 111.246 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -70.28 -37.88 74.93 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.889 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.9 -36.7 84.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.992 0.425 . . . . 0.0 110.675 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.138 179.74 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 38.2 t . . . . . 0 N--CA 1.446 -0.673 0 CA-C-O 120.857 0.361 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.73 -26.52 65.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.228 171.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.46 -33.08 48.64 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.281 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -73.46 -39.27 65.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.265 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.654 ' O ' HG23 ' B' ' 16' ' ' VAL . 50.8 tp -61.84 -53.6 53.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.262 175.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 53.3 m -53.75 -36.11 61.97 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.364 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.87 81.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.716 0.293 . . . . 0.0 110.691 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 61.4 mt -64.62 -39.52 85.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.382 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.654 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.1 t -69.03 -34.81 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -66.76 -41.56 87.56 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.195 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.504 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.5 OUTLIER -54.63 -47.56 73.32 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.469 175.099 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.448 ' O ' ' HB2' ' B' ' 23' ' ' LEU . 52.0 ttm -54.92 -44.46 74.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.796 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.38 -44.17 77.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.067 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.506 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -64.26 -53.28 51.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.25 -178.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.521 HG11 HG21 ' A' ' 22' ' ' VAL . 43.3 t -63.13 -28.47 45.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-O 120.929 0.395 . . . . 0.0 110.32 -177.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' B' ' 19' ' ' MET . 18.8 tp -60.13 -47.26 86.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.121 174.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -73.99 -26.55 60.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.066 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 32.4 mmmt -66.84 -14.91 63.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 110.932 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -116.31 -9.47 11.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.026 0.441 . . . . 0.0 109.934 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.497 ' HA ' ' HD2' ' B' ' 27' ' ' LYS . 37.1 tptt 55.37 73.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.365 -177.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.481 ' HB2' HD13 ' A' ' 15' ' ' ILE . . . -97.55 123.99 50.19 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.257 177.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 15.6 Cg_exo -67.82 160.08 49.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.842 2.362 . . . . 0.0 111.542 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.14 -39.57 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 123.182 0.301 . . . . 0.0 111.808 -176.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.499 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.8 p-10 -67.23 -52.4 41.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.408 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.17 -36.64 74.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.673 0.273 . . . . 0.0 111.142 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.8 t -61.28 -40.37 93.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.093 0.473 . . . . 0.0 109.99 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 tt -64.26 -40.17 95.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.313 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.585 ' HB ' HD11 ' A' ' 12' ' ' LEU . 39.0 mt -72.53 -45.3 59.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.96 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.682 ' HB1' ' HB ' ' A' ' 16' ' ' VAL . . . -52.73 -49.68 64.93 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.685 0.279 . . . . 0.0 110.589 171.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 23.5 tp -59.79 -37.51 79.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.196 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.41 -49.92 62.57 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.387 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -59.02 -40.67 85.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.673 0.273 . . . . 0.0 110.316 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.91 -56.89 15.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.259 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.27 -47.07 79.31 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.46 -178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 26.4 m -57.14 -55.77 30.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.761 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -66.87 -28.6 68.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.073 -175.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.92 -54.1 39.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 0.0 110.805 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.53 -16.9 61.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.199 0.523 . . . . 0.0 112.035 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 69' ' ' VAL . 22.5 p -99.03 -1.82 38.76 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m -131.64 -40.86 1.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.266 -0.574 . . . . 0.0 112.442 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -85.02 -39.66 17.77 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -172.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 28.6 m -95.28 155.07 39.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.737 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -57.19 126.85 23.42 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.073 2.515 . . . . 0.0 112.492 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.593 ' HA ' ' SG ' ' B' ' 54' ' ' CYS . 32.9 mm-40 -76.0 -4.36 40.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.27 0.557 . . . . 0.0 111.218 -176.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . 0.515 HG23 ' HG3' ' B' ' 53' ' ' GLN . 9.9 t -77.95 -16.44 58.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.237 175.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.515 ' HG3' HG23 ' B' ' 52' ' ' THR . 79.1 mt-30 -135.86 6.7 3.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.343 -177.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . 0.593 ' SG ' ' HA ' ' B' ' 51' ' ' GLN . 19.8 p -64.19 -43.58 94.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.349 -175.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -65.99 -34.74 78.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.211 0.529 . . . . 0.0 110.127 -177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.81 -48.74 52.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.69 -37.08 86.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.238 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.89 85.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.933 0.396 . . . . 0.0 110.327 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -66.14 -39.0 89.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.179 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.44 -48.35 64.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.559 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.41 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 37.4 t80 -56.89 -46.42 81.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.861 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.594 ' CB ' ' HB2' ' A' ' 62' ' ' SER . 11.8 p -62.26 -55.34 29.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.426 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -60.14 -35.46 75.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.522 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 19.5 t -64.16 -41.17 97.26 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.484 ' O ' HG23 ' B' ' 69' ' ' VAL . 61.7 mt -67.03 -32.75 74.18 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.568 HG12 ' O ' ' B' ' 62' ' ' SER . 44.0 mm -59.78 -49.02 85.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.049 0.452 . . . . 0.0 110.054 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -67.57 -33.45 75.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.365 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.67 90.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.745 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 65' ' ' LEU . 55.3 t -58.16 -48.27 85.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 111.014 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -57.58 -41.16 80.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.698 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 25.8 m -72.35 -39.71 67.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.998 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.511 ' HB2' HG21 ' A' ' 46' ' ' THR . 26.8 mmt180 -57.99 -53.63 56.02 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.802 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.655 -177.174 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 N--CA 1.443 -0.789 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.29 -32.16 62.18 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.48 -35.98 65.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.863 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -71.24 -43.75 66.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.964 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.8 tp -61.92 -56.24 21.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.801 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.5 p -57.27 -36.27 70.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.469 -175.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.51 89.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.806 0.336 . . . . 0.0 110.762 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.46 -44.16 96.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.233 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.9 t -69.02 -37.35 77.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.312 . . . . 0.0 110.381 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -70.17 -29.58 66.5 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.994 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.578 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.2 m-20 -62.09 -47.13 86.0 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 173.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.5 mmt -53.92 -43.11 69.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 110.948 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.59 -47.68 82.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.847 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . -63.7 -53.52 50.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.294 -177.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 18' ' ' ASP . 61.8 t -56.59 -36.32 47.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.631 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 28' ' ' ALA . 59.2 tp -57.92 -50.3 73.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.826 176.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.36 -42.17 72.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.167 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 29.1 mtpp -62.77 -37.7 87.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.393 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -80.82 -9.48 59.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.217 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm 60.46 55.58 3.42 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.429 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.49 ' HB2' HD13 ' B' ' 15' ' ' ILE . . . -96.61 132.74 25.7 Favored Pre-proline 0 N--CA 1.45 -0.456 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 175.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.564 ' HD2' ' HB3' ' A' ' 32' ' ' LEU . 17.9 Cg_exo -66.85 154.21 75.34 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.496 2.131 . . . . 0.0 110.789 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 49.1 t -56.49 -38.39 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.048 0.451 . . . . 0.0 111.304 -175.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.437 ' O ' HG13 ' A' ' 35' ' ' ILE . 10.2 p-10 -76.8 -40.41 48.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.902 -175.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB3' ' HD2' ' A' ' 29' ' ' PRO . 38.1 tp -70.9 -32.93 70.04 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.8 t -63.75 -41.1 98.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.425 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 91.4 mt -61.35 -37.25 82.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.464 177.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 31' ' ' ASP . 62.4 mt -64.6 -44.29 96.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.745 176.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.01 -51.09 70.69 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.866 0.365 . . . . 0.0 110.21 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.7 tp -57.57 -42.29 82.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.44 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.86 -50.79 63.85 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.328 -0.463 . . . . 0.0 112.597 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -65.07 -36.84 85.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.482 0.182 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.8 ttt -68.47 -47.15 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.687 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.25 95.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.846 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.9 m -57.38 -45.58 84.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.92 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -58.2 -49.2 77.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.796 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.3 mt -70.24 -36.87 74.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.141 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 tp -74.02 -13.19 60.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.449 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.2 p -109.59 9.13 25.21 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.263 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.8 m -140.27 -45.51 0.42 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -174.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.7 m -99.52 -9.73 22.95 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -166.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.653 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 24.6 m -97.56 167.75 11.28 Favored Pre-proline 0 C--N 1.323 -0.582 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.574 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.653 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 12.4 Cg_endo -56.01 108.95 0.37 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.557 2.172 . . . . 0.0 111.209 174.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.452 ' HG3' HD21 ' B' ' 73' ' ' LEU . 3.8 tp-100 -68.0 -32.84 73.51 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.088 -169.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -81.35 -12.47 59.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.174 0.511 . . . . 0.0 111.168 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -122.87 17.88 10.17 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.576 ' HB2' HG11 ' B' ' 69' ' ' VAL . 5.5 p -53.96 -52.32 61.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.336 -173.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.68 -40.67 84.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.431 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.47 -44.99 77.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.967 0.413 . . . . 0.0 111.009 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.86 -34.25 71.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.242 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.49 81.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.641 0.258 . . . . 0.0 110.67 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -66.79 -35.81 80.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.019 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.99 85.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.003 0.43 . . . . 0.0 110.459 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.03 -45.17 93.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.949 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.699 ' O ' HG12 ' A' ' 66' ' ' ILE . 41.2 t -56.07 -59.51 4.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.539 177.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.05 -38.46 57.1 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.249 0.343 . . . . 0.0 111.717 -178.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 m -60.72 -45.84 92.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.738 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.515 HD12 HD12 ' B' ' 45' ' ' LEU . 4.3 mm? -72.92 -31.32 64.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.993 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.699 HG12 ' O ' ' A' ' 62' ' ' SER . 38.0 mm -63.69 -33.0 59.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -76.97 -25.91 53.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.08 -48.55 70.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 172.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.9 t -62.19 -39.6 84.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.863 174.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -53.62 -43.42 68.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.57 175.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.5 m -70.44 -26.5 63.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.202 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -35.93 65.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.5 mt -72.68 -24.92 61.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.599 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.99 176.55 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.441 -0.884 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -68.26 -13.37 62.21 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.45 -36.19 15.57 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.775 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.427 ' O ' HG13 ' B' ' 15' ' ' ILE . 7.2 tp60 -70.73 -40.9 72.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.628 ' O ' HG23 ' B' ' 16' ' ' VAL . 54.6 tp -58.78 -59.08 6.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.621 178.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 45.7 p -54.13 -45.82 72.03 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 123.34 0.4 . . . . 0.0 111.553 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.95 71.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.49 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' A' ' 28' ' ' ALA . 81.1 mt -74.51 -49.4 31.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.835 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.628 HG23 ' O ' ' B' ' 12' ' ' LEU . 0.8 OUTLIER -66.67 -35.06 73.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.19 0.519 . . . . 0.0 109.84 -178.616 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.84 -43.17 99.5 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.945 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.763 ' O ' HG23 ' B' ' 22' ' ' VAL . 34.2 t70 -67.91 -43.16 79.89 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -177.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 61.4 mtt -54.27 -42.69 70.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.595 0.236 . . . . 0.0 111.377 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.83 -43.03 89.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.649 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.595 ' O ' ' HB2' ' B' ' 25' ' ' LYS . . . -62.54 -38.11 88.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.763 HG23 ' O ' ' B' ' 18' ' ' ASP . 44.7 t -67.66 -41.61 85.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.112 0.482 . . . . 0.0 109.962 177.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.3 tp -57.93 -56.52 20.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.731 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.471 ' HG3' ' HD2' ' B' ' 27' ' ' LYS . 35.8 tt0 -75.51 -8.47 56.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.979 0.419 . . . . 0.0 110.905 -177.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' B' ' 21' ' ' ALA . 33.7 ttmt -67.78 -29.15 68.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -99.73 -18.35 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.238 172.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.471 ' HD2' ' HG3' ' B' ' 24' ' ' GLU . 39.8 tptt 61.29 89.46 0.08 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.584 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -108.26 135.82 19.9 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.201 177.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' B' ' 32' ' ' LEU . 27.3 Cg_exo -62.06 158.94 36.51 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.584 2.189 . . . . 0.0 111.311 175.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 33.4 m -56.14 -29.45 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.343 . . . . 0.0 111.757 -178.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.42 ' O ' HG13 ' B' ' 35' ' ' ILE . 15.9 t70 -76.99 -52.51 9.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.731 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.566 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 35.7 tp -62.37 -40.23 95.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.014 0.435 . . . . 0.0 110.438 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -65.4 -32.31 73.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.518 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 13.7 tp -67.39 -34.04 76.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.003 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.42 HG13 ' O ' ' B' ' 31' ' ' ASP . 38.5 mt -69.24 -44.18 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.297 177.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.42 98.84 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.31 175.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.43 -45.01 96.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.132 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.92 -51.77 56.52 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.241 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -60.47 -38.05 82.97 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.759 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 13.7 tpt -66.97 -48.1 69.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.2 87.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.748 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 27.1 t -59.37 -44.34 92.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.221 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -58.54 -51.79 68.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.587 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.51 -46.18 87.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.561 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 65' ' ' LEU . 91.8 mt -77.31 -12.19 59.92 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -173.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 20.4 p -100.96 -14.66 17.79 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.303 -0.559 . . . . 0.0 112.083 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 75.5 p -127.32 -37.26 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -174.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 11.9 m -112.15 25.49 11.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -164.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.443 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 35.4 m -127.28 161.63 53.21 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 177.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.443 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 12.6 Cg_endo -57.62 111.36 0.81 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.327 2.018 . . . . 0.0 110.737 173.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -60.78 -24.62 65.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -170.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 20.9 p -90.53 -46.75 8.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.085 0.469 . . . . 0.0 111.634 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -91.8 16.12 11.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.968 -176.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 6.6 p -55.95 -43.48 77.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.066 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.45 -39.86 92.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.995 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.04 -55.74 20.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.894 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.15 -40.67 94.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.622 -176.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.95 -49.33 78.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 111.096 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -79.36 -26.26 42.1 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.094 -177.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.6 90.11 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 174.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.444 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 65.4 t80 -62.62 -42.39 99.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.188 176.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.575 ' O ' HG12 ' B' ' 66' ' ' ILE . 49.1 m -59.08 -57.1 14.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -60.13 -33.05 71.62 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.783 -0.189 . . . . 0.0 111.306 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 70.1 m -62.29 -41.52 98.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.465 ' O ' HG23 ' B' ' 69' ' ' VAL . 95.5 mt -63.31 -46.44 86.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.393 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.575 HG12 ' O ' ' B' ' 62' ' ' SER . 14.3 mm -57.64 -49.29 81.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 121.058 0.456 . . . . 0.0 110.166 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -63.71 -41.38 98.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.902 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.69 68.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.984 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 54' ' ' CYS . 60.1 t -62.86 -46.74 95.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.714 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.89 -37.6 74.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.259 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 50.8 m -76.47 -39.27 53.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.765 0.317 . . . . 0.0 111.229 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -65.64 -45.82 81.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.662 0.267 . . . . 0.0 111.137 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.452 HD21 ' HG3' ' A' ' 51' ' ' GLN . 10.8 mp . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.793 0.33 . . . . 0.0 110.299 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.726 ' HB2' ' HG3' ' A' ' 11' ' ' GLN . 18.1 m . . . . . 0 N--CA 1.447 -0.604 0 CA-C-O 120.592 0.234 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.12 -34.6 68.52 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 170.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.97 94.89 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.38 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.726 ' HG3' ' HB2' ' A' ' 8' ' ' SER . 45.9 mt-30 -68.57 -46.67 68.81 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.077 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.683 ' O ' HG23 ' A' ' 16' ' ' VAL . 63.3 tp -61.03 -59.25 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.861 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -56.31 -39.35 72.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.552 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.43 96.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.754 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.0 mt -69.16 -49.27 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.203 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.0 t -63.98 -45.61 96.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.95 0.405 . . . . 0.0 110.647 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -66.41 -34.91 79.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.663 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -71.71 -37.87 70.58 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.417 ' HA ' HG22 ' A' ' 22' ' ' VAL . 53.0 tpp -62.36 -45.77 91.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.66 177.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.5 mt -62.61 -38.95 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.114 0.483 . . . . 0.0 110.29 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.84 -52.63 55.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.103 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 19' ' ' MET . 33.2 m -67.47 -24.64 31.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.649 0.261 . . . . 0.0 110.96 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.18 -38.27 89.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 110.093 175.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 1.8 tm-20 -66.18 -43.25 87.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.972 178.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 3.7 mptp? -75.19 -21.65 58.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.063 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.37 -34.24 55.09 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 171.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 48.2 mttp 56.95 75.34 0.37 Allowed 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.959 -175.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.47 106.03 43.03 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.16 173.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.97 165.41 16.6 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.522 2.148 . . . . 0.0 111.845 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p -51.11 -29.91 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.621 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' O ' HG13 ' A' ' 35' ' ' ILE . 3.9 m-20 -60.89 -68.89 0.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.191 0.519 . . . . 0.0 110.513 176.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -66.23 -36.77 83.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.366 -175.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.3 t -63.17 -42.0 99.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.387 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.22 -38.97 92.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.301 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 31' ' ' ASP . 44.7 mt -68.61 -41.37 82.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.87 0.367 . . . . 0.0 110.694 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -61.97 -48.93 78.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.515 177.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.13 -29.01 69.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.585 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.49 -52.11 51.44 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.07 176.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -63.88 -36.66 84.66 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.072 0.463 . . . . 0.0 110.764 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -66.52 -48.1 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.589 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.08 -55.55 33.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.569 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.7 p -58.76 -46.96 86.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.699 0.285 . . . . 0.0 110.9 -176.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -57.19 -54.1 50.56 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.924 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.94 -43.26 96.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.636 -177.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.493 ' O ' HG22 ' A' ' 49' ' ' VAL . 83.7 mt -59.81 -26.48 65.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.737 0.303 . . . . 0.0 111.255 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.2 p -96.39 16.05 19.6 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.9 t -147.67 -20.48 0.37 Allowed 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.0 p -99.23 -41.31 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.862 -0.524 . . . . 0.0 111.835 -176.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.83 HG23 ' H ' ' A' ' 51' ' ' GLN . 4.8 m -76.99 171.63 11.9 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -176.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.487 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 51.3 Cg_exo -56.46 -11.74 7.02 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.26 2.64 . . . . 0.0 113.739 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.83 ' H ' HG23 ' A' ' 49' ' ' VAL . 48.9 tt0 75.35 -55.32 0.63 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.762 0.825 . . . . 0.0 111.752 173.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.9 m -66.65 -23.52 66.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.259 0.552 . . . . 0.0 110.959 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HG2' ' HB3' ' A' ' 56' ' ' ALA . 8.0 tt0 -119.21 22.28 11.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.724 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.7 t -55.79 -46.94 77.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.518 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.608 ' HG3' HG23 ' B' ' 66' ' ' ILE . 35.1 tt0 -62.31 -41.06 98.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.382 -175.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.52 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . . . -66.61 -39.58 88.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.84 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.51 -37.99 86.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.697 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.37 88.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.818 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.96 -36.92 83.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.158 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.97 86.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.881 0.372 . . . . 0.0 110.547 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -64.95 -42.08 94.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.648 ' O ' HG12 ' A' ' 66' ' ' ILE . 48.5 t -56.64 -55.64 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.7 177.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -56.3 -35.76 67.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.618 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.2 t -63.76 -40.05 95.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.837 0.351 . . . . 0.0 110.232 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 69' ' ' VAL . 92.5 mt -67.51 -45.39 75.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.187 177.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.648 HG12 ' O ' ' A' ' 62' ' ' SER . 17.4 mm -56.98 -48.3 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.821 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -56.59 -44.11 80.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.062 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.31 84.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.074 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 65' ' ' LEU . 91.2 t -60.99 -49.08 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HD2' HG22 ' A' ' 66' ' ' ILE . 29.1 mtpp -59.16 -39.63 83.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.288 -178.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.2 m -70.19 -28.45 65.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.355 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 72' ' ' ARG . 35.7 ttt-85 -87.89 -42.6 12.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.942 0.401 . . . . 0.0 111.149 -178.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.39 -1.01 57.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.444 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 N--CA 1.468 0.425 0 C-N-CA 123.82 0.848 . . . . 0.0 113.096 -179.552 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.445 ' HB3' ' CB ' ' B' ' 11' ' ' GLN . 12.9 t . . . . . 0 N--CA 1.445 -0.676 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.37 -26.26 67.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.02 -38.46 44.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.335 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.445 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 24.1 tp60 -63.76 -46.31 85.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.831 175.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.672 ' O ' HG23 ' B' ' 16' ' ' VAL . 53.0 tp -60.47 -55.52 32.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.802 -179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 67.1 m -51.73 -44.42 63.26 Favored 'General case' 0 C--O 1.226 -0.16 0 O-C-N 123.428 0.455 . . . . 0.0 111.676 -176.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.18 90.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.566 0.222 . . . . 0.0 111.386 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.403 HG13 ' O ' ' B' ' 11' ' ' GLN . 75.7 mt -68.13 -45.85 82.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.675 0.274 . . . . 0.0 110.691 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.672 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.1 t -69.0 -38.07 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -63.25 -36.97 85.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.815 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.78 ' O ' HG23 ' B' ' 22' ' ' VAL . 35.4 t70 -68.13 -43.93 77.24 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 25.9 mmt -54.79 -44.46 73.77 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.406 0.441 . . . . 0.0 110.961 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.8 mt -60.87 -40.45 85.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.343 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.27 -42.84 83.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.947 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.78 HG23 ' O ' ' B' ' 18' ' ' ASP . 47.7 t -56.89 -42.43 78.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 121.011 0.434 . . . . 0.0 110.488 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' B' ' 28' ' ' ALA . 55.1 tp -66.17 -41.84 89.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.808 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -71.62 -43.15 66.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.39 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -64.49 -42.28 95.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.043 0.449 . . . . 0.0 111.197 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -87.0 -17.72 32.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.49 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.521 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 8.9 mtpm? 52.11 46.76 26.06 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.417 0.448 . . . . 0.0 111.402 -177.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.405 ' HB3' HD12 ' B' ' 23' ' ' LEU . . . -68.83 124.63 90.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.79 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -54.65 142.89 71.32 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.49 2.127 . . . . 0.0 111.696 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.589 ' O ' HD23 ' B' ' 34' ' ' LEU . 31.2 m -68.93 5.38 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.506 0.669 . . . . 0.0 111.266 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.537 ' O ' HG13 ' B' ' 35' ' ' ILE . 21.0 t70 -92.82 -57.8 2.54 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.547 172.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.21 -29.83 48.55 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.989 -174.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 20.6 p -62.56 -38.14 88.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.946 0.403 . . . . 0.0 110.134 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.589 HD23 ' O ' ' B' ' 30' ' ' VAL . 4.2 mm? -74.75 -32.42 62.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.673 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 31' ' ' ASP . 73.6 mt -65.53 -48.41 82.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 120.724 0.297 . . . . 0.0 110.301 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.49 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -55.8 -42.26 75.35 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.721 173.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.17 -46.54 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.821 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.72 -44.33 98.06 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.096 -0.574 . . . . 0.0 112.331 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -57.74 -48.97 78.1 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.008 0.433 . . . . 0.0 110.401 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 56.2 ttp -67.16 -43.45 82.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.803 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.84 83.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.98 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.7 m -57.47 -48.57 78.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.962 0.41 . . . . 0.0 110.983 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -63.37 -40.38 97.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.98 -41.95 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.465 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -68.91 -20.54 64.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.747 0.308 . . . . 0.0 111.756 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.2 p -101.01 13.05 36.48 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.462 -0.495 . . . . 0.0 112.003 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.3 p -139.82 -48.68 0.46 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.3 m -94.52 -10.46 32.14 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -167.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.656 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 21.1 m -120.28 164.45 22.65 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.656 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 10.0 Cg_endo -53.93 102.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.727 2.285 . . . . 0.0 112.032 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.534 ' HA ' ' HB3' ' B' ' 54' ' ' CYS . 4.0 pt20 -78.98 -0.65 31.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.724 -173.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 24.9 p -87.19 -24.52 24.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.348 0.594 . . . . 0.0 110.236 175.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -117.56 22.65 12.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . 0.534 ' HB3' ' HA ' ' B' ' 51' ' ' GLN . 4.9 p -48.97 -48.21 43.39 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.824 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.63 -45.27 94.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.627 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.52 73.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.494 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.17 -42.21 99.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.238 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.87 -43.71 98.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.944 0.402 . . . . 0.0 110.98 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -69.74 -37.36 76.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.61 87.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.775 0.321 . . . . 0.0 111.098 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -63.93 -43.69 95.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.768 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.597 ' O ' HG12 ' B' ' 66' ' ' ILE . 8.5 p -66.92 -43.07 84.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.229 -178.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -59.82 -33.02 71.21 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.809 0.337 . . . . 0.0 111.043 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 31.1 m -66.45 -39.48 88.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.948 0.404 . . . . 0.0 110.03 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.486 ' O ' HG23 ' B' ' 69' ' ' VAL . 98.7 mt -65.84 -35.61 81.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.495 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.608 HG23 ' HG3' ' A' ' 55' ' ' GLU . 40.2 mm -58.06 -41.85 81.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 121.382 0.611 . . . . 0.0 110.128 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.84 -37.64 86.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.349 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.22 85.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.18 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 65' ' ' LEU . 86.3 t -58.21 -46.53 88.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.903 0.382 . . . . 0.0 110.184 175.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.41 -38.33 89.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.86 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 40.1 m -60.46 -33.77 73.04 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 111.239 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -80.59 -37.54 31.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.074 0.464 . . . . 0.0 110.34 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 52.1 tp . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.106 -177.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.431 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 42.0 t . . . . . 0 N--CA 1.449 -0.479 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -70.66 -22.16 62.52 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.38 -33.48 37.16 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.431 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 57.7 tt0 -62.3 -46.14 90.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.385 173.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.4 tm? -57.18 -52.18 66.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.952 174.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -56.06 -40.87 74.19 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.296 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.85 78.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.797 0.332 . . . . 0.0 111.241 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.7 mt -72.2 -44.37 64.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.6 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.8 t -64.48 -38.49 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -56.38 -42.25 77.58 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.975 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.735 ' O ' HG23 ' A' ' 22' ' ' VAL . 6.8 t0 -62.45 -57.98 9.28 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.2 ttp -53.25 -44.96 68.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.778 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.0 mt -60.71 -45.57 97.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 110.452 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.37 -34.17 77.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.495 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 18' ' ' ASP . 60.1 t -66.68 -42.55 89.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.082 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 mp -68.03 -35.53 78.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.595 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -65.33 -26.67 68.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.192 0.52 . . . . 0.0 109.724 174.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -75.32 -24.82 57.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.745 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -98.42 -34.52 10.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.957 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 tptm 57.46 78.62 0.22 Allowed 'General case' 0 CA--C 1.531 0.22 0 O-C-N 123.915 0.759 . . . . 0.0 111.37 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.86 143.69 26.81 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.158 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.23 38.62 0.55 Allowed 'Trans proline' 0 N--CA 1.477 0.528 0 C-N-CA 123.258 2.639 . . . . 0.0 114.235 -172.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.5 t 71.89 -52.23 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.604 0.762 . . . . 0.0 112.153 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.85 -59.73 4.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.137 0.494 . . . . 0.0 110.695 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.495 HD23 HD12 ' A' ' 35' ' ' ILE . 97.1 mt -66.35 -28.06 68.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.15 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -62.97 -39.24 94.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.978 0.418 . . . . 0.0 110.097 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -71.53 -38.43 71.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.81 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.495 HD12 HD23 ' A' ' 32' ' ' LEU . 54.1 mt -64.52 -43.15 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.668 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.51 -46.55 89.72 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.262 176.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.0 -41.49 87.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.715 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.8 -53.26 47.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.226 -0.512 . . . . 0.0 112.242 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.458 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 93.3 m-20 -61.04 -40.95 95.54 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.83 0.348 . . . . 0.0 110.719 178.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.9 ttt -64.65 -54.0 38.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.42 -177.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.51 84.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.375 -176.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 t -63.81 -40.57 96.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.542 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 24.3 t-20 -59.81 -45.71 91.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.823 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.54 -37.21 76.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.956 0.407 . . . . 0.0 111.098 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.3 mt -75.93 -13.4 60.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.668 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.42 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 18.8 p -107.59 8.68 29.31 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.741 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.7 p -126.44 -46.0 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.8 t -87.47 -56.23 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.72 -172.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.501 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 29.0 m -76.12 162.84 69.96 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.716 -177.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.52 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . 78.2 Cg_exo -47.17 119.65 3.66 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.984 2.456 . . . . 0.0 112.416 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.919 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 79.8 mt-30 -70.86 -21.09 62.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.969 -172.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 p -83.34 -14.56 52.64 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.629 0.728 . . . . 0.0 110.554 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HB2' ' HB2' ' A' ' 50' ' ' PRO . 78.2 mt-30 -106.57 4.7 28.37 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.083 178.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.919 ' SG ' ' HA ' ' A' ' 51' ' ' GLN . 68.1 m -53.5 -45.55 69.72 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.363 0.414 . . . . 0.0 111.225 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.14 -44.99 90.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.94 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.11 76.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.217 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -68.58 -37.05 79.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.925 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.25 -44.68 95.99 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -59.67 -44.76 93.45 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.745 175.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.7 98.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -64.12 -55.26 23.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.649 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.646 ' O ' HG12 ' A' ' 66' ' ' ILE . 74.6 p -62.35 -46.57 88.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.183 -175.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -61.63 -30.9 71.01 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -65.93 -36.74 84.2 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 69' ' ' VAL . 4.1 mm? -71.99 -39.75 69.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.692 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.646 HG12 ' O ' ' A' ' 62' ' ' SER . 26.4 mm -60.51 -46.2 95.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.05 0.452 . . . . 0.0 109.853 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -63.08 -34.22 77.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.816 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.6 98.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.301 176.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 65' ' ' LEU . 89.5 t -62.19 -41.39 91.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.367 176.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 66' ' ' ILE . 73.9 mmtt -59.83 -41.99 92.57 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.409 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.8 m -72.21 -32.75 67.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.877 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -78.46 -15.89 58.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.133 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.7 tp -86.8 -51.44 6.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.073 0.463 . . . . 0.0 110.294 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.255 -179.236 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 63.2 m . . . . . 0 N--CA 1.437 -1.088 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -63.4 -14.58 51.86 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.47 -39.1 67.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.779 HE21 ' HA ' ' B' ' 11' ' ' GLN . 0.0 OUTLIER -69.09 -42.26 76.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.489 175.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.67 ' O ' HG23 ' B' ' 16' ' ' VAL . 42.4 tp -58.52 -54.18 49.91 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.605 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.3 m -53.33 -42.93 67.25 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 123.375 0.422 . . . . 0.0 111.242 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.62 88.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.115 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 60.6 mt -73.89 -46.31 46.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.355 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.4 t -65.68 -39.54 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.028 0.442 . . . . 0.0 110.316 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -66.75 -33.82 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.737 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.758 ' O ' HG23 ' B' ' 22' ' ' VAL . 22.8 t70 -72.28 -34.72 68.39 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 56.1 mtt -58.63 -42.07 87.45 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 123.484 0.49 . . . . 0.0 110.945 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.98 -40.41 88.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.226 0.536 . . . . 0.0 109.874 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.91 -30.35 71.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.746 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.758 HG23 ' O ' ' B' ' 18' ' ' ASP . 47.0 t -62.61 -47.28 93.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.127 175.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.06 -40.75 94.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.463 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.74 -37.96 73.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.486 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -61.85 -43.48 98.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.43 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -96.71 -2.17 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.805 0.336 . . . . 0.0 110.189 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp 55.6 76.54 0.27 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.547 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.59 118.47 45.16 Favored Pre-proline 0 N--CA 1.449 -0.517 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.688 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.7 165.56 30.48 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.231 1.954 . . . . 0.0 110.316 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.472 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 34.2 m -58.6 -29.62 39.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -174.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.459 ' O ' HG13 ' B' ' 35' ' ' ILE . 2.9 m-20 -56.43 -65.04 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.529 0.68 . . . . 0.0 110.071 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 mt -68.11 -33.76 75.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.867 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.505 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 43.5 t -62.91 -43.21 99.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.962 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 30' ' ' VAL . 82.9 mt -66.98 -38.42 86.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.508 0.194 . . . . 0.0 110.757 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 31' ' ' ASP . 57.6 mt -64.17 -45.12 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.384 177.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.461 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -57.26 -44.92 84.34 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 176.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' B' ' 33' ' ' SER . 93.5 mt -62.52 -42.17 99.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.416 177.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.66 -44.21 98.13 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.135 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -46.52 89.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.813 0.339 . . . . 0.0 110.476 178.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 15.8 tpt -64.03 -42.19 97.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.923 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.09 91.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.669 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -62.78 -48.94 76.99 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.111 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' B' ' 43' ' ' ASN . 10.9 m120 -54.32 -47.63 72.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.979 179.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.02 -49.08 76.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.47 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.83 -12.17 61.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 20.8 p -105.02 1.24 28.43 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.06 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -135.13 -43.57 0.72 Allowed 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -178.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.4 m -89.98 9.71 26.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.951 0.405 . . . . 0.0 111.737 -170.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.621 HG12 HD12 ' B' ' 57' ' ' LEU . 34.2 m -98.58 147.8 33.66 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.34 -67.11 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.681 2.254 . . . . 0.0 111.85 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -170.46 -89.07 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.001 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -71.71 -11.51 60.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.339 0.59 . . . . 0.0 110.82 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -81.46 4.25 21.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.479 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . 0.453 ' HB3' HG21 ' B' ' 49' ' ' VAL . 11.2 p -57.55 -44.26 85.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.33 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -54.19 -53.35 54.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.232 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.37 86.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.522 -176.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.621 HD12 HG12 ' B' ' 49' ' ' VAL . 86.1 mt -71.98 -36.21 69.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.409 -176.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.17 -50.35 66.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 110.642 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.434 ' OE1' HD12 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -67.36 -31.94 72.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.044 178.472 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.7 83.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.902 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.87 -40.19 87.81 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.024 0.44 . . . . 0.0 110.101 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.72 ' O ' HG12 ' B' ' 66' ' ' ILE . 43.7 t -60.84 -64.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.638 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.72 -43.25 80.42 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.904 -172.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 69.2 p -63.11 -38.73 92.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.809 0.338 . . . . 0.0 110.84 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 tt -71.02 -39.84 72.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.832 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.72 HG12 ' O ' ' B' ' 62' ' ' SER . 20.2 mm -61.11 -46.54 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-O 121.252 0.548 . . . . 0.0 109.95 177.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.432 ' HA ' ' HB2' ' B' ' 70' ' ' LYS . 61.5 t30 -63.79 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.757 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.252 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.0 -44.42 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.824 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.432 ' HB2' ' HA ' ' B' ' 67' ' ' ASN . 23.8 mmtm -54.89 -39.66 68.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.584 176.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 37.1 m -76.39 -26.79 55.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.515 -177.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -78.15 -39.68 40.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 0.0 110.019 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 53.6 tp . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.25 178.855 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.49 ' HB3' ' CB ' ' A' ' 11' ' ' GLN . 40.0 t . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -69.84 -19.9 63.44 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.44 -35.92 46.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.518 175.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.49 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 59.8 tt0 -64.35 -38.83 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.958 174.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 16' ' ' VAL . 63.0 tp -58.25 -54.77 43.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.474 177.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -35.42 64.91 Favored 'General case' 0 C--O 1.226 -0.137 0 O-C-N 123.069 0.231 . . . . 0.0 111.426 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.53 92.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 0.0 110.655 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.8 mt -64.18 -43.3 97.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.026 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.5 t -71.62 -27.57 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.174 0.512 . . . . 0.0 110.134 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -72.24 -35.29 68.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.454 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.718 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -63.33 -42.26 98.94 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.371 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 16' ' ' VAL . 22.9 mmt -51.6 -47.65 63.51 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.412 0.445 . . . . 0.0 110.809 176.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.93 -41.89 87.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.65 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.573 ' O ' ' HD3' ' A' ' 25' ' ' LYS . . . -66.0 -52.2 51.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.604 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 18' ' ' ASP . 48.4 t -54.9 -40.59 53.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.807 -178.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 28' ' ' ALA . 37.2 tp -67.54 -38.79 84.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.015 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.26 -42.63 65.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.812 -174.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 2.4 mptm? -55.02 -56.29 21.44 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.881 0.372 . . . . 0.0 111.761 -176.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -79.03 -18.1 54.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 tttp 56.08 77.12 0.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.382 -175.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.452 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -99.04 120.15 59.11 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.182 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.15 162.69 31.9 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.545 2.163 . . . . 0.0 111.868 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.8 m -55.34 -27.21 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.787 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.503 ' O ' HG13 ' A' ' 35' ' ' ILE . 6.9 m-20 -64.59 -65.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.94 0.4 . . . . 0.0 110.525 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.5 mt -67.17 -34.0 76.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.415 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.45 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 39.2 t -63.69 -42.16 98.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.695 0.283 . . . . 0.0 110.528 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.43 -40.26 89.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.1 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 31' ' ' ASP . 49.3 mt -65.92 -41.73 90.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.5 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.455 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.04 -48.17 82.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.447 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 33' ' ' SER . 99.0 mt -62.29 -41.65 98.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.533 177.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.91 -49.62 73.87 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.436 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -60.13 -43.23 95.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.976 0.417 . . . . 0.0 110.612 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.474 ' O ' HD13 ' A' ' 44' ' ' LEU . 54.3 ttp -65.73 -51.37 59.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.059 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.21 -46.96 87.07 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.578 ' HB3' HD22 ' B' ' 65' ' ' LEU . 16.2 p -61.07 -46.26 91.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 110.479 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.63 -47.15 85.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.595 176.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 40' ' ' MET . 4.8 mp -57.98 -49.03 78.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.722 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 97.4 mt -63.9 -30.93 71.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.337 -177.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 p -96.88 11.14 36.92 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.937 -177.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.4 m -134.52 -46.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.446 ' HB3' HG11 ' B' ' 30' ' ' VAL . 17.5 m -82.81 -58.76 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.699 0.285 . . . . 0.0 111.764 -172.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.611 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 28.8 m -84.71 169.81 15.46 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -178.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.724 ' HB2' ' HB3' ' A' ' 53' ' ' GLN . 79.2 Cg_exo -48.7 117.95 3.06 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.63 2.22 . . . . 0.0 111.724 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -53.67 -43.62 69.03 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -169.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -16.55 30.53 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -176.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.724 ' HB3' ' HB2' ' A' ' 50' ' ' PRO . 59.5 tt0 -94.0 -3.98 50.44 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.354 0.597 . . . . 0.0 109.488 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 18.6 p -70.89 -30.05 66.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.205 -175.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.62 ' HG3' HG23 ' B' ' 66' ' ' ILE . 32.4 tt0 -62.44 -37.7 86.89 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.909 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.34 94.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.227 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.86 -40.21 91.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.214 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.79 97.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.812 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -67.06 -37.84 84.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 175.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.41 98.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.501 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -62.83 -38.2 89.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.166 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.654 ' O ' HG12 ' A' ' 66' ' ' ILE . 33.2 t -58.29 -57.77 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.141 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -56.58 -33.13 65.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.264 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.5 m -65.44 -41.23 93.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.254 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 69' ' ' VAL . 92.5 mt -67.92 -39.81 83.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.536 176.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.654 HG12 ' O ' ' A' ' 62' ' ' SER . 23.3 mm -59.98 -42.92 91.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -62.86 -40.0 96.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.611 175.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.26 90.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.611 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.517 HG11 ' HB3' ' B' ' 55' ' ' GLU . 92.7 t -59.38 -47.48 90.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.436 176.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -56.24 -47.98 77.4 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.759 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.7 m -67.56 -19.83 65.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.088 0.47 . . . . 0.0 111.331 -176.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -82.99 -39.57 21.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.948 0.404 . . . . 0.0 110.773 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.9 mt -93.55 -25.59 17.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.987 -175.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.321 -0.658 0 CA-C-O 121.101 0.477 . . . . 0.0 109.973 -176.446 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.506 ' HB2' ' HG2' ' B' ' 11' ' ' GLN . 58.8 m . . . . . 0 N--CA 1.446 -0.657 0 CA-C-O 121.165 0.507 . . . . 0.0 111.573 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.56 -20.72 61.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 171.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.19 -35.9 66.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.637 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.506 ' HG2' ' HB2' ' B' ' 8' ' ' SER . 75.3 mm-40 -67.22 -49.29 65.06 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.691 176.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.673 ' O ' HG23 ' B' ' 16' ' ' VAL . 52.0 tp -59.45 -56.07 26.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.007 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 72.1 p -57.8 -40.86 80.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.365 -174.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.92 -42.99 85.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.906 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.29 -53.86 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.983 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.1 t -63.47 -43.25 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.783 0.325 . . . . 0.0 111.217 -173.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -72.17 -31.99 66.43 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.296 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.733 ' O ' HG23 ' B' ' 22' ' ' VAL . 22.2 t70 -72.45 -42.25 65.2 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 53.1 mtt -54.18 -46.95 72.49 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.471 0.482 . . . . 0.0 110.866 176.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 16' ' ' VAL . 77.0 mt -54.09 -45.96 66.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.991 0.424 . . . . 0.0 110.401 176.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.93 -37.86 85.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.373 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 18' ' ' ASP . 46.7 t -69.35 -38.2 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.699 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.57 -44.21 82.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.714 0.292 . . . . 0.0 110.283 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -58.96 -38.53 79.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.431 0.634 . . . . 0.0 109.655 174.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.502 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 17.7 tppt? -57.99 -32.63 68.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.292 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -93.11 -14.52 27.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.039 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' B' ' 27' ' ' LYS . 66.6 mmtt 54.47 44.73 28.37 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 123.481 0.488 . . . . 0.0 110.825 -177.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.9 123.9 83.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.342 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.37 158.93 37.96 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.296 1.997 . . . . 0.0 111.38 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.446 HG11 ' HB3' ' A' ' 48' ' ' SER . 33.1 m -63.07 -17.42 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.994 0.426 . . . . 0.0 111.013 -178.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.545 ' O ' HG13 ' B' ' 35' ' ' ILE . 18.1 t70 -68.78 -63.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.51 177.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.86 -33.08 71.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.797 -174.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 16.5 p -65.38 -38.72 90.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.799 0.333 . . . . 0.0 111.021 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 68.5 mt -72.68 -32.64 65.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.798 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 31' ' ' ASP . 62.3 mt -67.0 -39.07 82.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.834 0.35 . . . . 0.0 110.212 176.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.424 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -59.46 -46.87 87.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.113 174.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.81 -40.29 92.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.303 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.82 -53.81 42.32 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.422 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -60.25 -42.52 95.47 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.714 0.292 . . . . 0.0 111.009 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.9 ttt -62.42 -50.12 72.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.034 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.94 96.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.523 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 40.6 m -60.01 -49.24 78.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.22 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.32 -35.63 81.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.004 0.431 . . . . 0.0 110.388 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.64 -52.31 58.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.86 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' B' ' 58' ' ' ALA . 96.5 mt -65.07 -26.0 68.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.928 -175.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 15.9 p -89.38 -1.42 58.05 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.4 p -128.19 -44.7 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 17.0 m -89.09 -21.14 23.55 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -169.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.581 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 34.9 m -121.42 166.38 16.43 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.581 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 84.5 Cg_exo -48.06 119.82 4.29 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.941 2.428 . . . . 0.0 112.676 177.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.86 -31.38 72.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.892 -175.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . 0.514 HG23 ' HG3' ' B' ' 53' ' ' GLN . 12.4 t -86.19 -5.94 59.09 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.386 -177.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.53 ' HB2' ' HB2' ' B' ' 50' ' ' PRO . 24.4 mt-30 -126.45 6.0 6.93 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.739 -177.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 17.7 p -67.62 -31.4 71.4 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.732 -177.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.517 ' HB3' HG11 ' A' ' 69' ' ' VAL . 10.4 pt-20 -63.9 -34.58 78.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.992 0.425 . . . . 0.0 110.518 176.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.43 -44.31 71.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.303 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' B' ' 57' ' ' LEU . 4.3 mm? -66.86 -40.43 87.87 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.101 179.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.472 ' HB2' HD13 ' B' ' 45' ' ' LEU . . . -62.05 -45.5 93.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.104 0.478 . . . . 0.0 110.624 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -64.15 -40.58 96.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.292 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.25 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.146 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.469 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 80.3 t80 -55.65 -43.72 76.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.079 0.466 . . . . 0.0 110.191 178.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.692 ' O ' HG12 ' B' ' 66' ' ' ILE . 47.3 t -61.86 -51.38 68.45 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.64 176.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -55.42 -42.95 74.83 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.759 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 50.8 m -59.06 -38.14 78.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.569 177.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' A' ' 42' ' ' SER . 80.4 mt -73.54 -38.58 65.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.692 HG12 ' O ' ' B' ' 62' ' ' SER . 49.2 mm -54.76 -49.32 69.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.448 0.642 . . . . 0.0 110.359 178.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -70.36 -32.25 69.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.702 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.25 86.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.734 0.302 . . . . 0.0 110.625 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 65' ' ' LEU . 75.5 t -57.49 -51.51 68.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.027 0.442 . . . . 0.0 109.844 174.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -58.71 -34.27 71.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.766 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 61.9 m -67.21 -34.15 76.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.556 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -87.6 -37.93 16.38 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.172 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 120.926 0.393 . . . . 0.0 111.332 -178.293 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.441 -0.907 0 CA-C-O 121.031 0.443 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.11 -14.39 47.95 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.93 -45.8 40.06 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.367 176.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 15' ' ' ILE . 22.0 mt-30 -76.88 -34.27 57.78 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.621 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.5 tp -60.15 -59.84 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.24 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 m -59.68 -32.3 70.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.202 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.443 ' O ' ' HB3' ' A' ' 17' ' ' ASN . . . -58.79 -45.78 89.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.575 0.226 . . . . 0.0 110.913 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 11' ' ' GLN . 70.2 mt -65.73 -47.98 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -66.22 -23.67 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.056 0.455 . . . . 0.0 109.888 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' A' ' 14' ' ' ALA . 25.2 t-20 -66.21 -50.9 62.27 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.068 177.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.806 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.5 p30 -75.88 -22.17 56.41 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.622 -177.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.0 mtt -56.96 -43.49 81.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.894 0.378 . . . . 0.0 110.127 169.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.14 -44.7 92.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.82 175.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . -60.93 -37.84 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.109 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 18' ' ' ASP . 43.2 t -61.74 -41.51 90.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-O 121.118 0.485 . . . . 0.0 110.224 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.87 -38.79 92.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.831 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.6 -21.93 59.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.75 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 63.0 mttp -75.65 -24.95 56.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.709 0.29 . . . . 0.0 111.336 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -110.26 -33.59 6.61 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.098 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 53.04 78.11 0.15 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.359 0.664 . . . . 0.0 112.427 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.5 148.74 35.64 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.833 176.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HD2' HD12 ' A' ' 32' ' ' LEU . 65.6 Cg_endo -73.26 43.31 0.72 Allowed 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.23 2.62 . . . . 0.0 113.979 -175.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.3 t 72.96 -54.78 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 123.659 0.784 . . . . 0.0 112.078 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.497 ' O ' HG13 ' A' ' 35' ' ' ILE . 23.6 t70 -61.02 -54.63 42.47 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.57 -176.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.516 HD23 HD12 ' A' ' 35' ' ' ILE . 97.8 mt -59.16 -32.03 69.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.152 177.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 m -63.99 -41.99 97.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.122 0.487 . . . . 0.0 110.172 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 99.3 mt -70.55 -30.53 67.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.73 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.516 HD12 HD23 ' A' ' 32' ' ' LEU . 60.7 mt -68.6 -40.51 81.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.49 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.432 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.43 -43.79 96.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 110.091 175.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' B' ' 37' ' ' LEU . 52.3 tp -66.08 -39.74 90.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.444 177.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.62 -43.45 99.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.296 -0.478 . . . . 0.0 112.448 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -60.19 -42.65 95.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.413 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.5 ttt -63.85 -48.07 78.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.596 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.29 -51.3 67.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.011 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.6 m -59.08 -45.42 90.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.862 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -60.32 -55.48 33.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.303 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.12 -40.09 92.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.736 -175.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.2 mt -69.36 -30.2 68.16 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -177.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.1 p -93.88 4.71 53.52 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.9 -177.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.0 p -126.85 -47.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.7 m -83.99 -45.01 13.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.734 0.302 . . . . 0.0 111.689 -171.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.7 m -101.88 164.77 15.18 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.346 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.47 127.66 26.32 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.222 1.948 . . . . 0.0 111.635 175.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.581 ' HB3' HD21 ' B' ' 73' ' ' LEU . 25.0 mp0 -60.37 -37.36 80.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.977 -176.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.7 t -75.37 -14.13 60.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.133 0.492 . . . . 0.0 111.058 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.462 ' HG3' HD23 ' A' ' 57' ' ' LEU . 6.0 tp-100 -102.33 -27.17 12.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.872 -175.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.1 p -61.96 -29.81 70.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.552 -175.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.76 -43.94 90.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.967 0.413 . . . . 0.0 110.722 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.25 -44.6 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.61 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.462 HD23 ' HG3' ' A' ' 53' ' ' GLN . 4.4 mm? -63.7 -46.96 83.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.336 -179.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.73 97.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 110.975 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -64.58 -45.06 88.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.329 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.33 97.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.897 178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.515 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 44.4 t80 -60.91 -45.42 94.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.146 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.573 ' O ' HG12 ' A' ' 66' ' ' ILE . 25.4 m -64.29 -46.78 82.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -62.14 -33.77 75.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.311 . . . . 0.0 110.986 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -67.29 -35.52 79.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 69' ' ' VAL . 87.2 mt -67.32 -36.83 82.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.056 174.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 62' ' ' SER . 39.2 mm -58.23 -44.71 88.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.219 0.533 . . . . 0.0 109.683 175.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -62.96 -37.36 86.8 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.618 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.05 -40.66 91.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.605 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 65' ' ' LEU . 94.4 t -59.22 -46.21 92.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.515 176.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 66' ' ' ILE . 63.6 mttm -54.85 -46.13 74.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.095 0.474 . . . . 0.0 109.733 176.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.0 m -67.44 -26.83 66.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.272 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.532 ' HG3' HG21 ' B' ' 46' ' ' THR . 13.7 mmt180 -73.86 -41.48 62.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.791 0.329 . . . . 0.0 110.603 176.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.3 mp -68.66 -40.17 80.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 70' ' ' LYS . 44.9 mm-40 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.344 0.592 . . . . 0.0 110.157 176.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.509 ' HB2' ' HB3' ' B' ' 11' ' ' GLN . 16.2 m . . . . . 0 N--CA 1.439 -1.022 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.37 -26.06 51.58 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.53 -37.99 55.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.936 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.509 ' HB3' ' HB2' ' B' ' 8' ' ' SER . 34.3 tt0 -73.08 -43.87 61.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.992 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.61 ' O ' HG23 ' B' ' 16' ' ' VAL . 51.8 tp -61.69 -51.76 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.714 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 27.0 p -57.23 -40.98 78.63 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.956 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.67 -39.53 77.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.686 0.279 . . . . 0.0 111.341 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.52 -53.53 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.212 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.2 t -70.28 -33.04 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 111.208 -174.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -69.12 -43.37 74.58 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.756 ' O ' HG23 ' B' ' 22' ' ' VAL . 27.0 t70 -65.73 -42.17 91.34 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.459 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 10.5 tpt -47.57 -50.57 23.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.247 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.435 HG13 ' O ' ' B' ' 16' ' ' VAL . 70.7 mt -63.41 -43.63 98.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -62.56 -38.61 90.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.708 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.756 HG23 ' O ' ' B' ' 18' ' ' ASP . 61.5 t -60.79 -43.39 95.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.375 176.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 19' ' ' MET . 91.5 mt -69.31 -25.54 64.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.285 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -78.63 -32.0 47.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.697 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 99.1 mttt -64.17 -40.18 95.58 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.19 0.519 . . . . 0.0 110.441 175.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -85.0 -20.46 30.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.627 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 tptp 60.03 80.08 0.22 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.778 -176.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.13 120.71 60.75 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.913 177.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.04 33.62 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.178 2.585 . . . . 0.0 113.801 -172.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 71.8 t 70.1 -53.32 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 123.574 0.749 . . . . 0.0 111.929 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -55.12 -65.96 0.49 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.171 0.588 . . . . 0.0 111.235 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.439 HD13 HD12 ' B' ' 35' ' ' ILE . 4.0 mm? -60.8 -26.72 67.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.371 176.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -68.24 -41.23 81.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.776 0.322 . . . . 0.0 110.16 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.615 HD23 HD21 ' B' ' 37' ' ' LEU . 93.8 mt -64.41 -37.97 89.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.439 HD12 HD13 ' B' ' 32' ' ' LEU . 55.7 mt -66.46 -39.22 83.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.516 176.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.37 -49.03 75.46 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.997 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.615 HD21 HD23 ' B' ' 34' ' ' LEU . 4.6 pp -69.46 -25.42 64.08 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.627 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.2 -47.49 71.87 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.448 173.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -60.66 -41.98 96.1 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.048 0.451 . . . . 0.0 110.013 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 54.0 tpp -60.19 -52.16 66.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.915 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.88 -46.55 74.79 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.125 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 24.6 m -56.07 -54.63 42.74 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.878 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.45 -49.28 77.89 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.232 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 63.4 mt -60.1 -43.04 95.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.918 0.39 . . . . 0.0 111.292 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.561 ' HB3' ' SG ' ' B' ' 54' ' ' CYS . 89.7 mt -72.74 -14.36 61.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.866 -178.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.532 HG21 ' HG3' ' A' ' 72' ' ' ARG . 19.8 p -110.61 -0.16 17.35 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.096 -0.641 . . . . 0.0 112.689 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 77.5 p -125.61 -28.81 3.24 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 21.6 m -107.78 -43.25 4.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -171.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.877 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 23.5 m -90.68 174.28 4.73 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.877 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 19.9 Cg_endo -60.9 101.6 0.18 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.0 1.8 . . . . 0.0 111.565 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.422 ' H ' ' CD ' ' B' ' 51' ' ' GLN . 0.0 OUTLIER -64.07 -30.68 71.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.08 -177.158 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 12.3 t -75.08 -11.76 60.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -123.33 10.43 9.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.191 0.52 . . . . 0.0 109.92 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . 0.561 ' SG ' ' HB3' ' B' ' 45' ' ' LEU . 40.1 t -57.82 -40.2 79.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.274 -173.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -55.79 -46.64 77.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.023 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.26 -46.38 83.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.274 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.9 -47.98 78.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.295 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.71 83.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.12 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -68.47 -32.64 72.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.005 0.431 . . . . 0.0 110.617 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.01 -46.54 51.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.631 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -59.26 -45.33 91.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.603 ' O ' HG12 ' B' ' 66' ' ' ILE . 6.8 p -62.96 -56.85 13.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.751 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -58.74 -41.4 86.36 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 68.6 m -66.16 -34.66 78.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.997 0.427 . . . . 0.0 110.518 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.422 ' O ' HG23 ' B' ' 69' ' ' VAL . 41.5 tp -64.79 -38.7 91.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.331 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.603 HG12 ' O ' ' B' ' 62' ' ' SER . 28.3 mm -59.61 -41.77 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.191 0.52 . . . . 0.0 109.926 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -65.64 -36.77 84.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.287 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.5 99.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.666 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 65' ' ' LEU . 98.3 t -57.15 -47.82 83.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.433 175.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -61.6 -33.4 73.84 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.128 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 22.4 m -74.2 -15.04 61.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.395 0.617 . . . . 0.0 110.761 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -87.64 -26.61 22.94 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 176.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 51' ' ' GLN . 4.6 mm? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.022 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.568 ' HB2' ' HG2' ' A' ' 11' ' ' GLN . 74.2 m . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -66.89 -21.5 66.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.55 82.43 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.655 174.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.568 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 27.7 mm-40 -61.5 -49.31 77.26 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.707 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.4 tp -57.16 -60.94 2.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.796 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -54.34 -41.67 69.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.886 -175.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.76 98.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 11' ' ' GLN . 69.1 mt -68.27 -46.57 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.239 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.2 t -63.04 -39.66 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -64.79 -38.58 91.47 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.105 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.684 ' O ' HG23 ' A' ' 22' ' ' VAL . 38.1 t70 -63.76 -50.59 68.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -43.95 64.47 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.344 0.402 . . . . 0.0 111.415 178.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 16' ' ' VAL . 80.7 mt -62.99 -47.01 94.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.689 0.281 . . . . 0.0 110.81 178.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.93 99.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.978 0.418 . . . . 0.0 111.033 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 18' ' ' ASP . 45.4 t -66.18 -37.98 80.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.289 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 33' ' ' SER . 63.5 tp -63.18 -48.3 78.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.21 176.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.92 -35.54 78.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.314 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -61.45 -29.55 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.854 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -89.49 -18.41 26.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.142 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.683 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER 62.58 32.2 16.54 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.665 178.173 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.16 120.91 82.97 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.85 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.88 175.84 3.44 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.767 2.311 . . . . 0.0 112.008 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.78 -20.58 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-O 121.076 0.465 . . . . 0.0 111.135 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.638 ' O ' HG12 ' A' ' 35' ' ' ILE . 2.4 m-20 -68.74 -73.51 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.137 0.494 . . . . 0.0 110.112 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.0 -36.67 70.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.598 -174.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.453 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 20.4 p -63.04 -44.08 96.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.689 0.281 . . . . 0.0 110.95 -177.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.92 -28.87 64.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.056 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 31' ' ' ASP . 24.1 mm -65.15 -48.08 85.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.475 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -60.46 -45.65 92.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.713 177.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 33' ' ' SER . 90.1 mt -63.79 -35.16 79.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.86 -42.08 99.75 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.089 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.99 -41.98 85.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.096 0.474 . . . . 0.0 110.024 177.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.5 ttt -64.45 -46.47 82.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.243 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.46 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.67 -51.21 70.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.467 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 p -65.23 -41.13 94.69 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 120.911 0.386 . . . . 0.0 111.167 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -60.44 -42.56 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.296 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.99 -44.75 75.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 94.4 mt -62.58 -18.62 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 111.595 -177.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.44 ' CG2' HG13 ' B' ' 69' ' ' VAL . 8.9 p -103.98 9.25 36.68 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.071 177.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.8 m -134.77 -47.4 0.74 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -175.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.5 p -91.74 -29.33 16.87 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -169.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.6 m -105.99 152.52 40.33 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.06 123.39 13.73 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.4 2.067 . . . . 0.0 111.705 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -60.0 -21.96 61.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.631 -176.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.6 m -76.45 -26.6 55.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.078 0.466 . . . . 0.0 110.949 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -114.62 7.58 16.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.136 0.493 . . . . 0.0 110.384 -174.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.4 p -58.23 -40.93 82.98 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.394 -175.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' A' ' 59' ' ' GLN . 43.8 tt0 -61.84 -34.96 76.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.667 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.0 69.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.634 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.97 -50.21 74.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.177 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.09 -30.77 70.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.108 0.48 . . . . 0.0 111.24 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.553 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 2.0 tt0 -76.44 -31.26 57.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.44 -178.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.7 -40.56 55.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.52 176.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -57.83 -46.42 84.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.526 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.697 ' O ' HG12 ' A' ' 66' ' ' ILE . 4.1 p -65.97 -45.11 82.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.069 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -55.0 -39.42 69.04 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.695 0.283 . . . . 0.0 111.496 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.0 m -60.88 -44.13 97.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.31 0.576 . . . . 0.0 110.028 176.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . 96.4 mt -65.1 -39.23 92.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.012 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.722 HG13 HE21 ' B' ' 59' ' ' GLN . 28.4 mm -61.61 -37.75 78.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 120.914 0.388 . . . . 0.0 110.426 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.0 -36.36 84.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.519 176.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.24 85.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.191 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' LEU . 51.5 t -63.39 -38.07 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.294 176.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.89 -42.11 79.28 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.6 176.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.2 m -66.06 -32.68 74.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.816 0.341 . . . . 0.0 110.738 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.772 ' NH1' ' HA ' ' B' ' 46' ' ' THR . 24.6 mmm-85 -59.36 -53.65 55.8 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.428 0.633 . . . . 0.0 110.168 173.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.0 mt -67.31 -50.28 60.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.374 -176.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 . . . . . 0 C--N 1.319 -0.729 0 CA-C-O 121.476 0.655 . . . . 0.0 111.832 -175.429 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.403 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 31.4 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.17 -25.94 68.05 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 172.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.47 -31.63 37.28 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.399 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.403 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 49.4 tt0 -70.36 -45.73 65.51 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 109.123 176.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.668 ' O ' HG23 ' B' ' 16' ' ' VAL . 61.5 tp -62.13 -53.6 53.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.858 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 74.5 p -55.9 -38.32 70.06 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.669 0.271 . . . . 0.0 110.845 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.66 -48.72 76.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.371 176.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 67.3 mt -66.56 -48.08 81.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.547 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 12' ' ' LEU . 3.3 t -63.46 -45.49 97.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -69.23 -25.53 64.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.944 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.723 ' O ' HG23 ' B' ' 22' ' ' VAL . 18.7 t0 -70.46 -45.68 65.29 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 177.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 64.6 mtt -57.43 -38.29 74.14 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.005 176.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 16' ' ' VAL . 68.7 mt -61.81 -39.95 85.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.181 176.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.28 75.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.452 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.723 HG23 ' O ' ' B' ' 18' ' ' ASP . 27.6 t -57.21 -49.18 80.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.28 0.562 . . . . 0.0 109.776 175.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.44 -43.45 98.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.751 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -69.41 -26.23 64.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.958 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -64.07 -36.04 82.71 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.155 0.502 . . . . 0.0 110.258 176.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -85.56 -32.76 21.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.221 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.4 tttp 56.62 67.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.829 -168.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -79.57 128.98 73.09 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.021 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.547 ' HD2' ' HB2' ' B' ' 32' ' ' LEU . 31.2 Cg_exo -58.99 160.16 19.34 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.731 2.287 . . . . 0.0 111.711 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 32.7 t -56.71 -31.45 35.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.99 0.424 . . . . 0.0 111.014 -176.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.502 ' O ' HG13 ' B' ' 35' ' ' ILE . 0.5 OUTLIER -76.11 -61.31 1.98 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.333 177.743 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.547 ' HB2' ' HD2' ' B' ' 29' ' ' PRO . 53.4 mt -56.31 -38.84 71.81 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.2 p -62.85 -44.4 96.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.759 0.314 . . . . 0.0 111.416 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.7 -34.21 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.921 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 31' ' ' ASP . 56.2 mt -69.63 -37.2 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.778 0.323 . . . . 0.0 110.405 178.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.429 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -62.36 -46.37 88.97 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 120.855 0.36 . . . . 0.0 110.046 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.17 -42.74 95.61 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.87 -52.56 52.53 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.605 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -58.0 -41.75 83.73 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 111.16 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 45.4 ttp -66.33 -47.58 73.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.74 -46.3 88.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.3 t -59.12 -43.81 91.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.754 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -59.56 -38.77 81.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.81 -44.54 55.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.8 0.333 . . . . 0.0 110.936 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.554 ' HB3' ' SG ' ' B' ' 54' ' ' CYS . 96.6 mt -63.49 -27.77 69.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.446 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.772 ' HA ' ' NH1' ' A' ' 72' ' ' ARG . 33.8 p -94.62 0.76 55.4 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.865 -174.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 22.7 p -122.8 -47.36 2.07 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 11.6 m -100.86 -5.17 26.51 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -170.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.433 HG21 HD23 ' B' ' 45' ' ' LEU . 39.0 t -113.9 128.4 25.8 Favored Pre-proline 0 C--N 1.326 -0.446 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.956 -177.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.66 152.31 13.07 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.363 2.709 . . . . 0.0 112.629 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -52.6 -64.31 0.86 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.436 -173.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 9.7 t -76.35 -22.37 54.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.766 0.317 . . . . 0.0 111.233 -172.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 8.6 tt0 -74.75 -35.65 62.61 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' B' ' 45' ' ' LEU . 34.7 t -56.87 -44.85 82.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.621 -176.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -64.75 -45.32 86.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 111.032 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.04 -30.07 58.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.468 -174.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 10.3 tp -72.15 -41.48 67.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.558 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.08 96.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.545 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.722 HE21 HG13 ' A' ' 66' ' ' ILE . 58.4 mm-40 -66.05 -34.46 78.12 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.05 -44.11 63.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.79 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -61.83 -43.5 98.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.751 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.646 ' O ' HG12 ' B' ' 66' ' ' ILE . 29.4 p -63.6 -53.57 49.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -60.43 -32.8 71.71 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -64.1 -44.04 93.5 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 80.4 mt -67.93 -33.37 74.54 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.646 HG12 ' O ' ' B' ' 62' ' ' SER . 50.9 mm -55.53 -50.19 68.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.011 0.434 . . . . 0.0 110.221 176.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -75.93 -27.21 57.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.742 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.11 -49.44 72.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.44 HG13 ' CG2' ' A' ' 46' ' ' THR . 76.9 t -62.06 -41.98 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.155 175.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' B' ' 70' ' ' LYS . 38.1 ttmt -55.25 -54.0 48.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.193 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.7 m -75.64 -13.81 60.34 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.382 0.611 . . . . 0.0 110.991 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' B' ' 72' ' ' ARG . 23.4 ttt85 -84.11 -28.98 27.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.069 176.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 56.3 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.192 176.621 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.444 -0.769 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -73.05 -12.26 60.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.14 0.495 . . . . 0.0 110.66 -175.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.26 -38.24 31.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 15' ' ' ILE . 20.9 tp60 -62.63 -37.26 85.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.61 172.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.584 ' O ' HG23 ' A' ' 16' ' ' VAL . 41.1 tp -54.85 -52.76 61.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.283 174.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.2 m -55.23 -37.83 67.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.238 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.97 -33.78 76.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 11' ' ' GLN . 71.8 mt -72.34 -45.77 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.979 0.419 . . . . 0.0 110.249 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.7 t -68.17 -36.31 74.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.939 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -60.75 -43.43 97.97 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.161 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.744 ' O ' HG23 ' A' ' 22' ' ' VAL . 31.5 t0 -66.13 -46.37 77.74 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 43.3 ttm -51.22 -44.79 61.72 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.368 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 16' ' ' VAL . 78.3 mt -63.24 -41.98 94.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.758 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.23 -41.38 90.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 18' ' ' ASP . 29.0 t -60.86 -45.98 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.05 177.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 28' ' ' ALA . 56.3 tp -60.34 -47.16 87.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.044 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -66.31 -26.19 67.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.692 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -70.14 -42.75 72.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.388 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -92.78 -2.51 55.9 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 60.46 89.42 0.07 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.261 0.553 . . . . 0.0 112.365 175.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.444 ' HB2' HD13 ' B' ' 15' ' ' ILE . . . -127.99 111.31 20.15 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.017 173.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' HD12 ' A' ' 32' ' ' LEU . 19.2 Cg_endo -60.86 168.06 7.74 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.757 2.304 . . . . 0.0 111.965 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -54.2 -27.64 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 121.02 0.438 . . . . 0.0 111.933 -175.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.536 ' O ' HG13 ' A' ' 35' ' ' ILE . 31.2 t70 -75.03 -61.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.451 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 29' ' ' PRO . 69.5 mt -59.59 -39.54 84.49 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 p -64.58 -40.16 95.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 110.574 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tt -64.76 -35.76 82.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.679 177.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 31' ' ' ASP . 65.6 mt -66.29 -40.62 87.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.711 177.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.528 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -59.99 -50.49 73.54 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 110.514 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.81 -42.69 94.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.741 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.12 -51.59 56.53 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.768 177.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -58.21 -45.45 87.62 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.883 0.373 . . . . 0.0 110.997 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.9 ttt -62.73 -48.02 81.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.842 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.75 84.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.32 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -59.06 -52.89 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.401 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -60.46 -38.05 82.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.162 0.506 . . . . 0.0 111.131 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.49 -52.32 33.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.468 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.63 -27.07 68.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.867 0.365 . . . . 0.0 111.466 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.2 p -92.13 14.18 16.83 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.964 0.411 . . . . 0.0 111.34 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.1 m -136.01 -51.27 0.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.861 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.3 p -81.13 -68.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -170.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.69 143.54 75.67 Favored Pre-proline 0 C--O 1.235 0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.407 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.12 115.54 1.77 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.453 2.769 . . . . 0.0 112.296 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.424 ' HA ' ' HB2' ' A' ' 54' ' ' CYS . 29.2 pt20 -56.7 -34.49 67.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.747 -175.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.7 m -59.54 -33.91 71.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.527 -176.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -122.95 21.43 9.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.872 0.368 . . . . 0.0 110.455 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 51' ' ' GLN . 52.8 t -59.58 -49.09 79.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.627 -175.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -62.39 -31.44 72.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.938 0.399 . . . . 0.0 111.327 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.24 -41.63 66.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.404 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.1 mt -67.87 -36.81 80.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.596 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.25 97.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.716 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -65.97 -35.3 80.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.97 95.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -67.98 -47.01 69.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.65 ' O ' HG12 ' A' ' 66' ' ' ILE . 67.7 p -61.78 -52.8 62.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.049 -177.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -36.9 76.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.691 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.3 m -62.58 -39.22 93.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.278 177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 69' ' ' VAL . 90.9 mt -67.2 -42.62 83.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.323 176.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.65 HG12 ' O ' ' A' ' 62' ' ' SER . 28.2 mm -57.99 -45.83 87.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.239 0.543 . . . . 0.0 110.581 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -79.01 -21.85 46.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.041 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.594 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -67.14 -42.26 84.69 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 174.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 65' ' ' LEU . 95.7 t -59.9 -45.23 95.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.003 175.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HZ2' HG22 ' A' ' 66' ' ' ILE . 63.1 mttp -56.33 -39.2 72.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.906 176.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.1 m -71.14 -23.16 62.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 22.1 mmt180 -80.06 -24.65 40.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.138 0.494 . . . . 0.0 109.939 176.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.4 mt -89.21 -41.02 12.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.611 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.231 -176.622 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.469 ' HB2' ' HB2' ' B' ' 11' ' ' GLN . 1.2 m . . . . . 0 N--CA 1.434 -1.255 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -59.76 -18.71 45.3 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 174.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.88 38.49 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.862 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.469 ' HB2' ' HB2' ' B' ' 8' ' ' SER . 14.1 mm100 -68.85 -41.42 78.47 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.394 177.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.726 ' O ' HG23 ' B' ' 16' ' ' VAL . 42.8 tp -60.13 -57.74 11.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.187 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 48.0 m -53.01 -40.95 64.21 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.375 0.422 . . . . 0.0 111.31 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.77 -43.61 98.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.204 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.633 ' HA ' ' OD2' ' B' ' 18' ' ' ASP . 64.1 mt -74.83 -36.92 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.633 -176.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.726 HG23 ' O ' ' B' ' 12' ' ' LEU . 3.2 t -65.46 -33.48 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -72.66 -26.6 61.69 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.946 176.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.633 ' OD2' ' HA ' ' B' ' 15' ' ' ILE . 43.6 m-20 -58.38 -58.35 8.91 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.65 -47.75 63.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.337 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.41 -50.3 73.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.457 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.673 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -67.01 -43.44 82.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -174.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 18' ' ' ASP . 94.2 t -63.6 -43.46 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.747 0.308 . . . . 0.0 110.833 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.72 -30.12 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.807 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -66.01 -38.79 89.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.44 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 39.4 mmtm -63.33 -41.03 98.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.293 -177.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -82.2 -24.33 34.98 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.513 ' NZ ' ' HB2' ' B' ' 27' ' ' LYS . 2.2 ttmp? 58.36 79.53 0.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.85 174.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' B' ' 32' ' ' LEU . . . -90.34 138.97 26.81 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.002 175.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.67 51.48 2.67 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.186 2.591 . . . . 0.0 113.767 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 81.7 t 73.49 -50.72 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 123.083 0.553 . . . . 0.0 112.094 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.556 ' O ' HG13 ' B' ' 35' ' ' ILE . 23.3 m-20 -51.48 -66.07 0.45 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.081 0.467 . . . . 0.0 110.957 -178.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.481 ' HB2' ' HB1' ' B' ' 28' ' ' ALA . 95.4 mt -62.04 -34.71 76.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.144 -177.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -60.62 -45.67 93.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.289 0.566 . . . . 0.0 110.365 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.03 -40.7 71.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.706 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.556 HG13 ' O ' ' B' ' 31' ' ' ASP . 52.5 mt -67.81 -33.95 64.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.906 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.434 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -60.45 -45.99 91.68 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.985 0.421 . . . . 0.0 109.959 174.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.74 -37.22 85.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.497 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.96 -46.29 94.88 Favored Glycine 0 C--N 1.33 0.212 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.316 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -59.09 -42.41 90.38 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.602 0.239 . . . . 0.0 110.634 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 85.8 mmm -62.22 -51.18 68.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.18 -46.52 79.34 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.107 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.2 t -61.82 -54.74 38.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.552 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -57.4 -43.48 83.77 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.385 -175.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 mt -64.89 -43.82 91.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.023 0.44 . . . . 0.0 111.772 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.514 ' HA ' HG22 ' B' ' 49' ' ' VAL . 98.1 mt -80.18 -9.42 59.72 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.701 -175.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.528 HG21 ' HG3' ' A' ' 72' ' ' ARG . 30.0 p -112.73 3.33 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.72 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 10.7 m -140.53 -34.76 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -176.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.7 m -93.85 -50.07 5.53 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.71 -172.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' B' ' 45' ' ' LEU . 34.7 m -89.79 158.94 44.3 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 121.234 -0.186 . . . . 0.0 110.933 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -53.8 128.07 28.1 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.683 2.255 . . . . 0.0 111.925 176.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.423 ' HA ' ' SG ' ' B' ' 54' ' ' CYS . 77.8 mt-30 -74.95 2.15 11.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.997 -173.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 10.8 m -96.08 -32.7 12.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.26 0.553 . . . . 0.0 110.511 174.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -100.47 -9.37 22.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.153 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' B' ' 51' ' ' GLN . 19.6 p -61.53 -48.43 81.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.452 -174.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.504 ' HG3' HG23 ' A' ' 66' ' ' ILE . 39.7 tt0 -61.82 -36.2 80.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.689 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.24 -53.23 39.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.127 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.81 -37.97 89.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.25 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.93 92.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.871 0.367 . . . . 0.0 111.146 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.475 ' NE2' ' HG2' ' B' ' 55' ' ' GLU . 47.6 mt-30 -69.36 -48.23 61.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.615 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.83 85.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.773 0.32 . . . . 0.0 111.573 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -65.11 -49.27 70.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.56 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.598 ' O ' HG12 ' B' ' 66' ' ' ILE . 16.2 p -66.22 -38.7 88.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.141 -178.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -59.21 -43.13 92.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.808 -0.178 . . . . 0.0 111.275 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 95.4 p -64.16 -33.4 75.7 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.624 -0.431 . . . . 0.0 109.936 178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.445 ' O ' HG23 ' B' ' 69' ' ' VAL . 93.7 mt -68.44 -37.72 80.51 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.552 176.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.598 HG12 ' O ' ' B' ' 62' ' ' SER . 39.9 mm -56.92 -48.52 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 121.288 0.566 . . . . 0.0 109.787 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -64.48 -39.39 93.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.575 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' B' ' 72' ' ' ARG . . . -61.91 -47.73 83.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 178.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 65' ' ' LEU . 70.4 t -57.44 -46.88 85.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.832 0.349 . . . . 0.0 110.644 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.18 -34.77 74.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 25.4 m -79.4 -19.85 49.04 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.204 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' B' ' 68' ' ' ALA . 12.3 mmm-85 -81.47 -43.84 18.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.616 179.68 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.573 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 47.5 t . . . . . 0 N--CA 1.441 -0.911 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -69.92 -15.64 63.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.14 -45.13 18.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.746 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 14.4 mm100 -72.73 -32.73 65.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.44 176.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.669 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -59.02 -61.25 2.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.591 177.524 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.0 p -56.67 -37.92 71.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.468 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 18' ' ' ASP . . . -57.48 -40.93 79.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.806 0.336 . . . . 0.0 111.021 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.6 mt -74.65 -40.78 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.317 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.4 t -63.32 -45.03 99.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.9 0.381 . . . . 0.0 110.257 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -71.69 -23.46 61.66 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.685 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.758 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.9 t70 -65.87 -51.58 57.57 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 175.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.9 mtt -54.93 -38.51 67.76 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.165 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.94 -45.04 99.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.147 0.498 . . . . 0.0 110.385 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 25' ' ' LYS . . . -64.74 -39.08 93.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.016 177.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 18' ' ' ASP . 39.6 t -66.16 -33.74 65.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.216 177.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.59 -40.32 96.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.092 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -88.34 -12.65 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 111.088 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 35.0 tptt -73.28 -43.48 60.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.585 0.707 . . . . 0.0 109.12 176.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -85.56 -20.68 29.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 171.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.0 tttp 55.85 90.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 113.899 -1.5 . . . . 0.0 112.01 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.441 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -116.52 135.52 22.92 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.88 175.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.801 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 14.1 Cg_exo -69.19 168.49 20.66 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.668 2.245 . . . . 0.0 111.253 176.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.479 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 59.5 t -60.87 -43.05 94.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.761 0.315 . . . . 0.0 111.065 -175.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.444 ' O ' HG13 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -69.76 -51.01 37.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -178.473 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.801 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 4.1 mm? -54.74 -42.74 71.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.679 0.276 . . . . 0.0 110.861 176.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.422 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 34.2 t -61.76 -47.3 85.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.961 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 80.2 mt -62.44 -40.11 95.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.57 0.224 . . . . 0.0 111.333 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 31' ' ' ASP . 60.1 mt -69.43 -39.6 78.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.878 0.371 . . . . 0.0 110.33 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.462 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -62.42 -45.54 92.66 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.377 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 33' ' ' SER . 88.7 mt -61.49 -36.36 80.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.358 177.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.82 -51.68 57.52 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.088 176.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -61.87 -46.33 89.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.04 0.448 . . . . 0.0 110.453 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.0 ttt -61.27 -51.76 67.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.49 -176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.98 75.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.083 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 m -55.72 -48.25 75.49 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.54 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -57.1 -49.28 76.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.22 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HA ' HG22 ' A' ' 47' ' ' THR . 88.0 mt -71.05 -38.58 72.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.356 -176.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.495 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 86.0 mt -71.44 -13.66 61.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.357 -178.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.6 p -105.36 13.26 30.61 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.85 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.415 HG22 ' HA ' ' A' ' 44' ' ' LEU . 11.1 t -134.45 -44.03 0.76 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.342 -0.543 . . . . 0.0 112.412 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.9 t -81.37 -43.44 19.0 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 121.886 -0.509 . . . . 0.0 111.201 -177.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 27.5 m -102.56 149.6 36.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.146 -177.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 49' ' ' VAL . 22.1 Cg_exo -65.81 139.74 58.5 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 123.012 2.475 . . . . 0.0 111.797 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.552 ' HG2' HD11 ' B' ' 73' ' ' LEU . 21.0 mp0 -56.51 -36.46 69.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.276 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.6 t -65.94 -18.92 65.67 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.507 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -107.72 -21.33 12.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.643 0.259 . . . . 0.0 110.641 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 37.0 t -55.08 -53.81 51.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.583 -174.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.738 ' HG3' HG23 ' B' ' 66' ' ' ILE . 41.3 tt0 -58.16 -41.68 84.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.986 0.422 . . . . 0.0 110.795 -178.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.04 -53.73 41.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.111 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mp -66.28 -39.88 89.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.67 -176.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.1 88.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.838 0.352 . . . . 0.0 110.809 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -70.28 -35.58 73.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.439 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.13 89.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.076 0.465 . . . . 0.0 110.185 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.432 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 69.0 t80 -61.85 -38.2 87.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.108 176.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 66' ' ' ILE . 15.9 t -61.79 -52.43 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.75 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -56.49 -36.8 69.54 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.2 m -63.75 -42.0 97.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.254 177.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 69' ' ' VAL . 97.2 mt -65.96 -38.04 87.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.3 177.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.686 HG12 ' O ' ' A' ' 62' ' ' SER . 39.0 mm -59.45 -45.92 93.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.9 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -66.14 -41.16 90.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.733 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.21 92.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.641 HG11 ' HB2' ' B' ' 55' ' ' GLU . 76.1 t -60.27 -49.56 83.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 177.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -59.84 -37.09 78.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.318 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.1 m -59.39 -37.34 77.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.859 0.361 . . . . 0.0 110.816 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.2 mmm-85 -71.98 -41.8 67.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.004 0.431 . . . . 0.0 110.522 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.52 -16.01 62.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.014 175.576 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.538 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 46.8 t . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -67.29 -23.52 65.67 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 175.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.43 -45.78 44.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.163 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 15.7 mm100 -66.12 -38.36 87.98 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.646 ' O ' HG23 ' B' ' 16' ' ' VAL . 57.9 tp -56.51 -58.69 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.944 177.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 23.8 p -56.91 -39.9 75.29 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 123.17 0.294 . . . . 0.0 111.419 -175.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.17 83.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 0.0 111.168 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 79.2 mt -69.74 -50.47 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.999 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.6 t -63.65 -42.95 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.974 0.416 . . . . 0.0 110.246 -178.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -53.01 -48.68 67.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.077 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.736 ' O ' HG23 ' B' ' 22' ' ' VAL . 25.9 t0 -63.61 -52.77 59.42 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.167 -177.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 54.4 mtm -55.88 -41.12 73.97 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.204 0.315 . . . . 0.0 111.691 -176.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.8 mt -65.17 -42.44 94.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 120.763 0.315 . . . . 0.0 110.661 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.27 -40.81 86.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.923 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 18' ' ' ASP . 48.2 t -59.61 -45.11 94.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.969 177.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.478 HD11 ' OG ' ' B' ' 33' ' ' SER . 6.2 tt -60.06 -51.43 69.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.243 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.03 -42.84 99.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.195 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -75.98 -18.44 59.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 110.927 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -81.68 -11.39 59.08 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 tttp 64.87 34.18 9.43 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.995 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.45 124.51 80.21 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.497 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.08 155.02 52.68 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.24 1.96 . . . . 0.0 111.554 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.45 -22.45 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -176.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.413 ' O ' HG13 ' B' ' 35' ' ' ILE . 7.3 m-20 -62.04 -69.85 0.23 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.585 0.707 . . . . 0.0 110.449 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.99 -30.52 66.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.163 -174.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.478 ' OG ' HD11 ' B' ' 23' ' ' LEU . 32.8 t -64.72 -40.86 96.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.207 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.61 -43.76 95.96 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.493 ' CG2' HD11 ' A' ' 12' ' ' LEU . 22.7 mt -69.17 -34.39 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.468 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -61.11 -51.93 67.04 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 174.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.4 -38.37 80.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.246 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.42 -53.98 37.76 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.383 177.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -60.2 -40.16 89.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.564 0.221 . . . . 0.0 111.239 178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.492 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 27.1 ttt -67.1 -51.34 55.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.56 69.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.21 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 12.9 p -58.06 -48.05 81.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.749 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -57.7 -40.84 80.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.047 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 40' ' ' MET . 73.4 mt -67.23 -54.64 19.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.007 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mp -68.37 -8.46 40.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -175.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.3 p -106.32 10.64 31.6 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.701 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.3 m -140.37 -45.27 0.41 Allowed 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 54.3 p -85.21 -39.1 18.19 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -171.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 35.9 m -96.4 155.22 38.22 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.496 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.467 ' HG2' ' HG2' ' B' ' 53' ' ' GLN . 11.6 Cg_endo -57.71 121.82 10.68 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.496 2.131 . . . . 0.0 112.209 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.465 ' HA ' ' SG ' ' B' ' 54' ' ' CYS . 11.0 pt20 -59.32 -18.14 35.37 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.659 -178.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 25.8 m -61.56 -37.87 85.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.976 0.417 . . . . 0.0 111.055 177.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.467 ' HG2' ' HG2' ' B' ' 50' ' ' PRO . 4.1 pt20 -119.24 2.71 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.192 -173.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' B' ' 51' ' ' GLN . 27.8 p -59.1 -43.65 91.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.665 -173.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.641 ' HB2' HG11 ' A' ' 69' ' ' VAL . 36.7 tt0 -61.23 -41.19 96.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.713 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.38 93.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.641 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 mp -67.47 -37.01 82.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.302 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.21 89.99 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.216 0.531 . . . . 0.0 110.382 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.36 -49.32 76.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.932 176.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.53 -33.21 75.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.749 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.509 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 86.8 t80 -59.71 -55.05 39.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.021 0.439 . . . . 0.0 110.106 177.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.602 ' O ' HG12 ' B' ' 66' ' ' ILE . 41.7 t -67.86 -36.48 80.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.622 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -57.61 -40.89 80.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.586 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 33.8 t -68.61 -30.32 69.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.124 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.558 ' O ' HG23 ' B' ' 69' ' ' VAL . 87.3 mt -65.01 -48.19 74.83 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 175.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.738 HG23 ' HG3' ' A' ' 55' ' ' GLU . 18.0 mm -53.67 -45.59 60.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.547 0.689 . . . . 0.0 109.871 177.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -65.24 -43.77 90.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.884 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.76 92.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.214 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 65' ' ' LEU . 92.0 t -59.82 -48.92 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.824 178.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -67.75 -31.94 72.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.869 0.366 . . . . 0.0 111.041 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 41.3 m -70.19 -23.24 62.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.289 0.566 . . . . 0.0 110.259 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -79.68 -27.3 40.8 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.552 HD11 ' HG2' ' A' ' 51' ' ' GLN . 9.2 mp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.437 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.492 ' HB2' ' CG ' ' A' ' 11' ' ' GLN . 66.3 m . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.89 -28.89 66.58 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.2 -39.2 75.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.085 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.492 ' CG ' ' HB2' ' A' ' 8' ' ' SER . 67.0 mm-40 -65.32 -49.53 69.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.107 177.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 16' ' ' VAL . 56.8 tp -60.31 -57.11 14.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.033 -177.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.5 p -54.86 -39.44 68.63 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.01 79.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.719 0.295 . . . . 0.0 110.956 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.31 -46.55 96.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.443 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.7 t -70.91 -33.94 53.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.182 0.515 . . . . 0.0 109.811 -176.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.35 -29.45 67.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.441 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.759 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 m-20 -63.88 -46.02 86.79 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.2 mtt -56.48 -39.23 72.89 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.898 0.749 . . . . 0.0 110.761 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.7 mt -61.44 -43.65 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.71 86.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 18' ' ' ASP . 44.6 t -58.39 -42.56 84.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 121.21 0.529 . . . . 0.0 110.117 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.74 -44.01 93.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.881 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -72.47 -42.98 64.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.446 -176.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.04 -41.98 94.74 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -176.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -85.82 -11.26 53.86 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.658 -0.417 . . . . 0.0 109.961 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.945 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER 63.96 87.17 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.204 179.02 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.511 ' HB2' HD13 ' B' ' 15' ' ' ILE . . . -130.94 132.57 23.97 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.506 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.716 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 7.5 Cg_exo -71.27 166.0 30.66 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.595 2.196 . . . . 0.0 111.38 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 29.7 m -64.21 -16.72 19.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.543 ' O ' HG13 ' A' ' 35' ' ' ILE . 12.0 p-10 -90.08 -45.67 8.99 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.493 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.716 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 40.2 mt -65.51 -42.36 92.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.626 0.25 . . . . 0.0 111.291 177.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.3 p -64.86 -31.95 73.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.948 0.404 . . . . 0.0 110.516 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.55 HD12 HD12 ' A' ' 37' ' ' LEU . 13.8 tp -65.69 -36.48 83.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.938 177.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 31' ' ' ASP . 56.2 mt -69.03 -36.78 75.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.342 177.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -59.9 -41.33 91.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.83 0.347 . . . . 0.0 110.258 174.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.55 HD12 HD12 ' A' ' 34' ' ' LEU . 95.9 mt -58.73 -42.63 89.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.419 176.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.91 -43.27 94.07 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.622 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -60.8 -44.12 97.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 0.0 110.477 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.4 tpt -66.42 -47.61 72.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.661 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -52.78 -53.93 41.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.564 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 p -61.87 -44.45 96.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.832 0.349 . . . . 0.0 111.374 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -66.88 -36.71 82.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.753 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.6 -42.49 74.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.528 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 95.5 mt -65.69 -25.86 67.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.9 p -93.8 15.99 15.22 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.752 0.31 . . . . 0.0 111.342 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.7 m -132.54 -51.39 0.93 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 p -88.97 -21.38 23.57 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -169.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.5 138.71 27.72 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.378 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -49.12 145.65 14.07 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.603 2.869 . . . . 0.0 112.499 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.473 ' H ' ' NE2' ' A' ' 51' ' ' GLN . 1.4 mp0 -56.49 -54.17 48.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.009 -172.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 t -64.93 -24.13 67.43 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -174.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -94.64 -12.69 26.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.679 0.276 . . . . 0.0 111.08 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 37.4 t -59.04 -48.1 82.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.574 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.84 -35.69 75.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.254 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.08 -52.08 13.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.454 -176.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.15 -38.95 89.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.411 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.93 92.81 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.383 177.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -65.33 -50.48 65.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.02 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.13 -47.78 84.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.428 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -56.09 -49.97 72.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.425 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.516 ' O ' HG12 ' A' ' 66' ' ' ILE . 19.4 m -61.98 -47.92 82.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.201 -179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -64.1 -34.32 77.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.5 p -68.36 -28.32 67.02 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.255 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' B' ' 42' ' ' SER . 83.3 mt -72.52 -36.01 68.22 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.289 174.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.516 HG12 ' O ' ' A' ' 62' ' ' SER . 23.7 mm -61.04 -39.12 81.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -59.46 -42.95 93.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.921 175.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 72' ' ' ARG . . . -62.55 -42.09 99.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.737 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 65' ' ' LEU . 87.2 t -56.49 -51.05 69.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.243 175.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -57.59 -47.99 80.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.93 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.8 m -62.63 -42.71 99.75 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 68' ' ' ALA . 57.0 mtp180 -65.04 -44.01 90.47 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.198 -177.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 73' ' ' LEU . 3.9 mm? -77.46 -43.71 31.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.875 0.369 . . . . 0.0 110.919 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.724 -176.27 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.551 ' HB3' ' HB3' ' B' ' 11' ' ' GLN . 44.8 t . . . . . 0 N--CA 1.444 -0.773 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -67.13 -12.46 60.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.79 -49.18 9.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.038 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.551 ' HB3' ' HB3' ' B' ' 8' ' ' SER . 7.2 tp60 -59.2 -43.61 92.26 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.446 174.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 16' ' ' VAL . 60.3 tp -57.06 -57.14 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.974 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 71.2 p -56.69 -36.48 69.67 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.19 0.306 . . . . 0.0 111.533 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.04 98.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.765 0.317 . . . . 0.0 110.516 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.511 HD13 ' HB2' ' A' ' 28' ' ' ALA . 74.8 mt -67.26 -38.99 82.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.812 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.5 t -67.86 -35.13 71.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.128 0.49 . . . . 0.0 109.754 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -68.94 -31.81 70.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.607 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -58.78 -43.61 90.5 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.407 ' HE1' HD23 ' A' ' 37' ' ' LEU . 82.2 mtp -57.53 -47.02 83.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.675 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.66 -45.64 98.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.345 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -60.61 -54.61 43.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.458 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 32.3 m -64.52 -30.01 48.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.099 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.14 -44.05 85.28 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -71.78 -17.51 62.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.45 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 34.0 mmtp -84.7 -16.15 42.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 0.0 111.068 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -101.12 -32.99 10.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.159 177.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.21 80.07 0.19 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.166 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.48 138.52 19.91 Favored Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -73.28 42.92 0.68 Allowed 'Trans proline' 0 N--CA 1.477 0.504 0 C-N-CA 123.282 2.655 . . . . 0.0 113.804 -173.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t 71.61 -47.0 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.526 0.731 . . . . 0.0 111.585 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.537 ' O ' HG13 ' B' ' 35' ' ' ILE . 36.4 m-20 -51.07 -66.24 0.42 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.062 0.458 . . . . 0.0 110.86 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.8 -31.25 71.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.277 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -61.76 -45.44 93.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.171 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.78 -40.2 76.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.95 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 31' ' ' ASP . 59.3 mt -63.71 -44.39 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.013 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.88 86.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.721 0.296 . . . . 0.0 110.737 177.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.29 -40.23 95.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.421 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.06 -48.11 83.01 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.544 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.24 -46.8 87.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.626 0.251 . . . . 0.0 110.758 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.448 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 13.6 tpt -63.74 -47.91 79.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.77 -52.1 66.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.499 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.645 ' HB3' HD22 ' A' ' 65' ' ' LEU . 24.0 p -63.55 -44.57 93.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.135 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -55.42 -50.85 68.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 40' ' ' MET . 68.2 mt -63.8 -42.65 97.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.259 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.85 -13.28 61.25 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 21.1 p -112.66 10.44 19.4 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.456 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 19.0 m -136.81 -41.54 0.6 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.4 m -89.17 -35.69 16.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -171.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.571 HG23 ' HB3' ' B' ' 54' ' ' CYS . 15.6 m -109.7 160.11 29.14 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.172 -176.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.538 ' HG2' ' HB2' ' B' ' 53' ' ' GLN . 6.6 Cg_endo -49.94 128.16 21.17 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.542 2.828 . . . . 0.0 112.518 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.553 ' HG3' HG23 ' B' ' 52' ' ' THR . 24.7 pt20 -61.66 -25.19 67.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -170.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . 0.553 HG23 ' HG3' ' B' ' 51' ' ' GLN . 41.0 p -100.11 -19.82 16.3 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.534 0.683 . . . . 0.0 111.219 -176.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.538 ' HB2' ' HG2' ' B' ' 50' ' ' PRO . 16.5 mm100 -97.89 -10.61 24.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.538 -178.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . 0.571 ' HB3' HG23 ' B' ' 49' ' ' VAL . 29.4 p -80.08 -37.75 33.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.185 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.58 -40.45 94.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.135 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.09 83.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.843 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.37 -35.32 73.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.295 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.71 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.067 0.461 . . . . 0.0 110.582 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -71.01 -37.69 72.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.06 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.87 -34.38 73.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 110.636 176.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.87 -47.02 87.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.484 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.623 ' O ' HG12 ' B' ' 66' ' ' ILE . 0.7 OUTLIER -64.49 -44.5 90.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.56 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -51.15 -48.47 61.85 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.004 0.431 . . . . 0.0 110.282 174.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -60.26 -36.71 78.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.852 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.46 ' O ' HG23 ' B' ' 69' ' ' VAL . 88.3 mt -64.53 -46.68 81.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.746 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.623 HG12 ' O ' ' B' ' 62' ' ' SER . 6.1 mm -60.49 -42.01 89.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.427 0.632 . . . . 0.0 109.699 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -68.36 -40.22 81.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.896 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.55 92.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.98 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 65' ' ' LEU . 74.8 t -59.62 -46.97 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.774 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.04 -33.62 76.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.5 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 26.3 m -76.41 -29.3 57.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.08 0.467 . . . . 0.0 110.739 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' B' ' 72' ' ' ARG . 3.6 tpm_? -65.98 -50.97 62.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.626 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.84 178.686 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.445 -0.7 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -65.34 -20.5 66.42 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.73 -38.76 67.34 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.265 175.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.502 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.5 tp-100 -68.99 -45.05 71.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.113 176.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.651 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.9 tm? -54.64 -52.5 62.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.269 177.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.8 m -57.56 -41.85 81.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.195 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.08 -36.12 80.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.085 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 11' ' ' GLN . 80.5 mt -69.65 -50.96 45.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.2 t -65.1 -41.21 91.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.916 0.388 . . . . 0.0 110.502 -176.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -68.25 -29.78 68.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.243 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.678 ' O ' HG23 ' A' ' 22' ' ' VAL . 18.8 t0 -68.91 -49.5 57.59 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.0 mtt -50.74 -50.59 55.22 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.013 0.435 . . . . 0.0 110.787 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.13 -47.05 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.579 ' O ' ' HE2' ' A' ' 25' ' ' LYS . . . -63.27 -46.01 88.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.606 0.241 . . . . 0.0 111.418 -177.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 18' ' ' ASP . 49.1 t -62.75 -42.57 96.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.857 0.36 . . . . 0.0 110.22 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 tp -63.96 -43.42 95.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.078 0.466 . . . . 0.0 110.116 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -59.76 -37.28 78.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.135 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HE2' ' O ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -71.27 -13.64 61.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.707 -177.327 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -101.5 -31.31 10.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 171.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt 65.5 93.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.246 -174.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.473 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -102.65 139.33 20.08 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.067 177.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 17.3 Cg_exo -66.66 152.78 79.97 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.641 2.227 . . . . 0.0 111.347 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.413 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 39.2 t -57.87 -31.43 40.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 123.515 0.509 . . . . 0.0 111.342 -175.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.56 ' O ' HG13 ' A' ' 35' ' ' ILE . 35.3 t70 -74.03 -49.96 21.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.028 0.442 . . . . 0.0 110.324 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.526 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 74.2 mt -68.52 -35.65 77.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.864 -177.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.8 p -62.87 -39.83 95.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 0.0 110.613 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 84.8 mt -66.79 -36.39 82.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 31' ' ' ASP . 51.4 mt -67.8 -47.0 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.636 0.255 . . . . 0.0 110.412 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.481 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -58.15 -46.46 85.63 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.463 177.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.59 -41.25 88.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.594 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.88 -50.39 66.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.407 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -60.66 -40.21 91.21 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.895 0.379 . . . . 0.0 110.6 178.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.402 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 27.7 ttt -69.26 -48.03 62.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -178.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.92 -48.34 80.18 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 m -58.52 -47.73 83.19 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.959 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -60.47 -49.04 79.17 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.245 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 40' ' ' MET . 80.8 mt -63.74 -34.9 78.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 111.238 -178.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.469 ' HA ' HG12 ' A' ' 49' ' ' VAL . 89.5 mt -76.69 -14.12 59.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.329 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.404 ' CG2' HG13 ' B' ' 69' ' ' VAL . 5.7 p -104.04 -5.19 22.38 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.25 -0.58 . . . . 0.0 112.342 176.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.3 p -130.41 -39.1 1.33 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.2 m -92.11 -42.34 9.98 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.205 -0.31 . . . . 0.0 111.834 -169.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 45' ' ' LEU . 8.9 p -85.13 139.34 36.63 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 175.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -37.04 105.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.69 2.927 . . . . 0.0 113.532 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.544 ' HA ' ' HB2' ' A' ' 54' ' ' CYS . 4.4 pt20 -72.92 -13.2 61.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.998 -173.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.494 HG23 ' HG3' ' A' ' 53' ' ' GLN . 10.5 t -71.58 -9.72 58.66 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.439 0.638 . . . . 0.0 110.078 175.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.494 ' HG3' HG23 ' A' ' 52' ' ' THR . 25.6 mt-30 -136.23 23.34 3.24 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 51' ' ' GLN . 53.1 t -50.93 -55.43 17.24 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.009 -173.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -59.74 -45.31 92.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 111.058 -176.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.18 -49.44 74.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.157 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.8 mt -70.79 -38.62 73.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.586 -174.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.76 98.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.21 0.528 . . . . 0.0 111.037 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -76.09 -30.08 58.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.971 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.45 -48.69 74.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.269 174.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -54.78 -45.56 74.29 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.046 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.635 ' O ' HG12 ' A' ' 66' ' ' ILE . 55.9 m -57.79 -57.76 11.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.088 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -58.2 -42.94 87.24 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.2 m -70.01 -30.17 67.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.832 0.348 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.7 tp -67.93 -39.33 83.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.134 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.635 HG12 ' O ' ' A' ' 62' ' ' SER . 26.4 mm -58.59 -49.1 83.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.032 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -63.61 -35.3 80.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.768 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.5 92.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.59 177.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 88.4 t -62.5 -45.33 99.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.784 177.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 66' ' ' ILE . 30.7 mtpp -58.58 -46.06 87.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.713 178.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.1 m -66.88 -31.66 72.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.068 0.461 . . . . 0.0 111.092 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 8.8 tpm_? -58.0 -45.94 86.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.964 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 tt -89.66 -51.09 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.664 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 120.919 0.39 . . . . 0.0 111.662 -168.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.58 -29.51 66.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.28 -35.76 71.44 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.077 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -75.83 -41.65 51.96 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.195 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.69 ' O ' HG23 ' B' ' 16' ' ' VAL . 50.5 tp -59.29 -56.69 18.88 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.277 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 42.0 m -56.23 -36.45 68.49 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.885 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.39 -46.04 83.88 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.869 0.366 . . . . 0.0 110.847 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 71.9 mt -70.01 -48.71 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.052 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.6 t -63.45 -44.51 98.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.715 -177.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -64.56 -38.85 92.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.911 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.787 ' O ' HG23 ' B' ' 22' ' ' VAL . 30.3 t70 -65.43 -47.19 77.06 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 51.4 tpp -54.57 -42.1 70.63 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.415 0.447 . . . . 0.0 110.839 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.63 -46.11 95.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.585 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.49 90.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.787 HG23 ' O ' ' B' ' 18' ' ' ASP . 46.3 t -64.88 -41.4 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.133 0.492 . . . . 0.0 110.02 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 66.9 tp -62.63 -35.99 81.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.601 176.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -75.69 -30.86 59.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.714 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 tppp? -62.82 -48.82 77.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.906 177.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -79.07 -25.72 43.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.257 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.433 ' HE2' ' HB2' ' B' ' 27' ' ' LYS . 18.1 ttmm 57.51 81.87 0.13 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.689 -1.142 . . . . 0.0 111.647 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.23 134.53 20.28 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.08 175.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -68.77 160.74 48.36 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.19 1.927 . . . . 0.0 111.374 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 p -57.1 -26.4 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 120.834 0.35 . . . . 0.0 110.865 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.18 -68.61 0.26 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.708 0.766 . . . . 0.0 110.28 176.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.38 -32.05 69.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.353 -175.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 31.5 t -64.48 -36.07 82.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.649 0.261 . . . . 0.0 110.482 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 tp -67.84 -43.11 80.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.984 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.67 -43.57 98.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.634 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.463 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -57.11 -51.42 69.38 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.014 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.13 -37.4 85.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.598 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.63 -46.96 93.14 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.26 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.46 -43.98 72.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.67 0.272 . . . . 0.0 110.455 178.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 26.8 ttt -58.99 -47.31 85.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.948 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.23 90.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -62.75 -50.93 69.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.692 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.539 ' O ' HG22 ' B' ' 47' ' ' THR . 5.3 m-20 -55.2 -42.25 73.03 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.382 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.79 -52.83 39.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.761 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.649 HD13 ' HA ' ' B' ' 58' ' ' ALA . 96.0 mt -68.74 -5.68 21.97 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -174.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 12.5 p -103.47 -12.1 17.37 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.539 HG22 ' O ' ' B' ' 43' ' ' ASN . 11.3 t -137.95 -19.91 1.14 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -175.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 93.5 p -91.49 -3.25 56.76 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 118.475 0.58 . . . . 0.0 110.862 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.7 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 34.9 m -128.75 178.54 1.62 Allowed Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.16 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.7 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 72.4 Cg_exo -50.32 111.44 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 121.938 1.758 . . . . 0.0 111.321 171.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -64.74 -29.94 70.94 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -171.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 10.0 t -81.02 -6.9 59.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.226 0.536 . . . . 0.0 110.115 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.675 ' HB2' ' HB2' ' B' ' 50' ' ' PRO . 27.6 mt-30 -119.37 20.19 12.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.913 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 p -53.89 -46.3 71.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.864 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.24 -26.39 62.89 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.895 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.65 -42.97 63.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.866 0.365 . . . . 0.0 110.338 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.502 ' HG ' ' HB ' ' B' ' 49' ' ' VAL . 4.4 mm? -66.78 -32.5 73.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.279 176.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.649 ' HA ' HD13 ' B' ' 45' ' ' LEU . . . -62.86 -43.98 97.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.437 175.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -63.08 -40.62 98.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.454 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.11 -44.31 96.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.642 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -63.89 -41.37 97.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.878 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.669 ' O ' HG12 ' B' ' 66' ' ' ILE . 47.8 t -57.31 -56.52 20.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.727 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -55.48 -37.44 67.81 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.444 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 29.5 m -64.21 -40.92 97.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.396 177.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.73 -40.93 84.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.669 HG12 ' O ' ' B' ' 62' ' ' SER . 27.7 mm -57.63 -45.55 86.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.075 0.464 . . . . 0.0 110.057 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.539 ' HA ' ' HE2' ' B' ' 70' ' ' LYS . 34.4 m-80 -69.09 -34.8 75.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.144 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.09 -51.97 53.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.847 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.404 HG13 ' CG2' ' A' ' 46' ' ' THR . 73.9 t -58.49 -44.09 88.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.544 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' B' ' 67' ' ' ASN . 37.6 ttpt -56.43 -51.65 67.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.165 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 15.2 m -73.09 -25.97 61.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.854 0.359 . . . . 0.0 111.486 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 72' ' ' ARG . 0.7 OUTLIER -68.89 -42.78 76.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.091 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 54.2 tp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.19 -176.498 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.531 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 28.5 t . . . . . 0 N--CA 1.446 -0.658 0 CA-C-O 120.651 0.262 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -66.14 -23.82 66.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.17 -32.51 29.93 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.579 178.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.531 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 58.2 tt0 -68.36 -41.45 80.63 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.303 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.7 tp -54.1 -56.32 19.24 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.912 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.956 ' HA ' HG12 ' A' ' 16' ' ' VAL . 4.4 p -74.29 -21.31 59.8 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 120.338 -0.545 . . . . 0.0 112.176 -174.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.76 85.76 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 171.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.1 mt -70.58 -54.69 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.428 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.956 HG12 ' HA ' ' A' ' 13' ' ' SER . 7.8 p -70.48 -31.94 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.477 -0.489 . . . . 0.0 112.136 -174.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.516 ' HB3' ' O ' ' A' ' 13' ' ' SER . 7.5 t30 -75.53 -29.79 59.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.135 -0.353 . . . . 0.0 110.319 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.765 ' O ' HG23 ' A' ' 22' ' ' VAL . 37.5 t70 -71.98 -39.52 69.23 Favored 'General case' 0 C--O 1.214 -0.803 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 173.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.3 ttm -54.01 -44.94 71.35 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.725 0.64 . . . . 0.0 111.06 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 16' ' ' VAL . 73.5 mt -62.51 -39.28 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.298 176.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 25' ' ' LYS . . . -65.55 -36.62 84.33 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.673 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 18' ' ' ASP . 44.4 t -63.91 -38.0 81.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.014 0.435 . . . . 0.0 110.434 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 tt -60.15 -50.08 75.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.862 176.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.52 -17.27 61.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.398 0.618 . . . . 0.0 110.756 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 23.4 tptp -77.54 -37.46 50.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.663 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -84.61 -18.24 36.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.574 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm 62.97 37.81 11.56 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.732 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.52 142.06 23.96 Favored Pre-proline 0 N--CA 1.446 -0.659 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.81 158.25 51.91 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.249 1.966 . . . . 0.0 112.018 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 12.7 p -55.35 -26.77 19.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.033 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' O ' HG13 ' A' ' 35' ' ' ILE . 4.1 m-20 -63.54 -66.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.319 0.58 . . . . 0.0 110.549 178.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.51 -38.79 87.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.288 -173.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.9 m -69.14 -27.75 65.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.981 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 4.2 tt -74.17 -35.96 64.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 31' ' ' ASP . 57.6 mt -61.08 -37.77 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.244 176.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.465 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.24 -44.42 95.26 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.137 0.494 . . . . 0.0 110.294 175.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.96 -43.15 95.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.285 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.34 -42.93 99.7 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.476 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -58.81 -44.1 90.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.853 0.359 . . . . 0.0 110.671 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.8 ttt -73.81 -39.99 63.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -177.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.59 -49.35 77.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.29 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 p -64.72 -43.37 93.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.087 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -57.17 -46.25 82.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.44 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.9 mt -71.3 -42.66 68.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.663 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.466 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 88.6 mt -72.94 -11.97 60.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.84 -174.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.516 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 16.8 p -98.37 -22.33 16.13 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.366 177.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.8 p -97.31 -49.59 4.88 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -103.58 23.89 11.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.766 0.317 . . . . 0.0 111.148 -172.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.466 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 5.9 p -76.89 116.11 54.19 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.014 0.435 . . . . 0.0 111.334 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.531 ' HD2' ' CB ' ' A' ' 54' ' ' CYS . 16.7 Cg_exo -67.85 -23.83 40.95 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.57 2.18 . . . . 0.0 111.858 176.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 70.83 -57.13 0.6 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.232 1.013 . . . . 0.0 112.029 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 p -42.11 -54.09 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 124.172 0.92 . . . . 0.0 112.908 -171.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -115.34 -13.39 11.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.33 0.586 . . . . 0.0 110.365 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.531 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 41.9 t -70.64 -36.2 73.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.517 -173.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.75 -41.49 95.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.169 0.509 . . . . 0.0 109.817 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.69 -52.68 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.846 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.85 -32.7 73.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.57 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.16 -49.98 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.945 0.402 . . . . 0.0 110.343 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.656 HE21 HG13 ' B' ' 66' ' ' ILE . 46.5 mm-40 -66.12 -33.82 76.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 177.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.13 -50.2 64.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.837 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -63.88 -38.57 91.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.116 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.595 ' O ' HG12 ' A' ' 66' ' ' ILE . 36.1 t -54.98 -57.97 9.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.212 176.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -63.4 -26.9 68.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.699 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.3 m -63.04 -42.52 99.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.77 -41.46 83.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.242 176.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.595 HG12 ' O ' ' A' ' 62' ' ' SER . 30.3 mm -57.02 -49.22 80.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.611 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -67.88 -30.45 69.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.59 -46.64 78.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.85 0.357 . . . . 0.0 110.22 176.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.79 -43.37 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.274 176.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.465 ' HG2' ' OE2' ' A' ' 74' ' ' GLU . 22.5 ttpp -52.34 -55.4 21.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.266 176.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.2 m -61.86 -32.62 72.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.136 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -68.05 -35.66 78.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 0.0 110.848 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 73' ' ' LEU . 4.1 mm? -83.25 -19.46 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.234 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.465 ' OE2' ' HG2' ' A' ' 70' ' ' LYS . 45.5 mt-10 . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 121.288 0.566 . . . . 0.0 110.688 175.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 120.807 0.337 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.01 -28.01 69.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.4 -32.27 60.7 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.684 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.54 ' O ' HG13 ' B' ' 15' ' ' ILE . 7.9 tp-100 -71.78 -44.54 63.82 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.638 178.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.643 ' O ' HG23 ' B' ' 16' ' ' VAL . 61.2 tp -55.09 -53.55 54.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.784 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -57.21 -41.96 80.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.985 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.17 85.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.888 0.375 . . . . 0.0 111.032 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.54 HG13 ' O ' ' B' ' 11' ' ' GLN . 80.9 mt -67.37 -51.31 53.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.194 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.9 t -66.01 -41.56 89.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 110.53 -176.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -63.58 -38.76 92.34 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.591 -177.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.719 ' O ' HG23 ' B' ' 22' ' ' VAL . 30.0 t70 -70.08 -45.59 66.69 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 6.5 mmm -52.23 -46.03 65.53 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.359 0.412 . . . . 0.0 111.566 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.5 -43.87 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 0.0 110.395 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -66.33 -35.41 80.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.277 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.719 HG23 ' O ' ' B' ' 18' ' ' ASP . 67.8 t -56.87 -47.06 83.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.035 0.445 . . . . 0.0 110.534 177.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 61.1 mt -77.42 -28.84 52.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.126 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.64 -36.56 81.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.074 0.464 . . . . 0.0 110.732 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 58.7 mttp -63.19 -30.94 71.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.927 -178.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -102.38 -11.35 18.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.791 0.329 . . . . 0.0 110.527 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt 62.91 96.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.277 -174.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' B' ' 33' ' ' SER . . . -90.56 109.09 31.68 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 172.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.403 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 73.5 Cg_endo -75.54 36.62 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.13 2.553 . . . . 0.0 113.656 -173.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' B' ' 29' ' ' PRO . 90.8 t 73.52 -50.9 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 123.215 0.606 . . . . 0.0 111.472 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.528 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.5 m-20 -51.91 -70.31 0.09 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.164 0.507 . . . . 0.0 110.775 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.22 -29.89 69.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.263 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.588 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 25.5 t -63.93 -54.04 40.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.403 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.08 -30.91 71.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.522 -176.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.528 HG13 ' O ' ' B' ' 31' ' ' ASP . 47.5 mt -70.51 -49.1 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.133 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.402 ' CB ' ' HB ' ' A' ' 16' ' ' VAL . . . -55.06 -50.14 69.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.633 0.254 . . . . 0.0 111.147 172.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 33' ' ' SER . 82.0 mt -59.9 -40.32 88.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.477 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.65 -46.03 86.14 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.158 177.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -52.59 -50.15 63.59 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.127 0.489 . . . . 0.0 110.123 175.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 12.9 tpt -65.02 -49.93 68.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.141 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.09 -46.66 85.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.383 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.5 m -56.88 -51.76 67.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.881 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -62.53 -40.34 96.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.732 -176.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.65 -50.69 56.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.576 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.54 -15.22 63.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.755 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.0 p -101.13 -4.76 26.7 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.914 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 27.2 m -118.22 -39.12 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.739 0.304 . . . . 0.0 111.466 -177.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -93.23 17.66 10.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.995 0.426 . . . . 0.0 110.954 -176.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.878 HG23 ' HB3' ' B' ' 54' ' ' CYS . 4.2 p -92.51 115.13 64.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -178.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' B' ' 49' ' ' VAL . 22.3 Cg_endo -64.82 -54.48 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.266 1.977 . . . . 0.0 110.742 173.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -179.75 -87.12 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.754 172.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 38.5 m -87.21 -32.69 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.93 -171.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -55.47 -45.73 76.92 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.273 0.558 . . . . 0.0 110.242 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . 0.878 ' HB3' HG23 ' B' ' 49' ' ' VAL . 47.7 t -79.8 -34.45 39.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.147 -178.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.08 -55.3 36.76 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.914 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.42 69.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.302 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.88 -34.78 78.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.716 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.9 -50.43 72.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.696 0.284 . . . . 0.0 110.655 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.88 -47.58 84.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.71 76.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.529 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.544 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 73.7 t80 -62.73 -43.49 98.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.799 -178.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.408 ' O ' HG12 ' B' ' 66' ' ' ILE . 25.0 t -61.32 -48.61 80.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.702 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -65.6 -33.47 75.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 6.0 t -65.28 -32.23 73.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.987 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 86.6 mt -66.88 -39.53 87.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.165 176.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.656 HG13 HE21 ' A' ' 59' ' ' GLN . 7.8 mm -62.05 -41.12 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 177.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -65.02 -39.38 93.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.675 176.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.95 98.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.432 HG23 ' O ' ' B' ' 65' ' ' LEU . 87.9 t -58.7 -47.36 89.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.074 0.464 . . . . 0.0 110.045 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -59.32 -44.07 92.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.731 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 23.6 m -69.91 -33.57 72.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.668 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -76.77 -34.04 58.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.342 -178.535 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 9.3 tt . . . . . 0 C--O 1.235 0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.116 178.914 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.785 ' HB2' ' HB2' ' A' ' 11' ' ' GLN . 21.8 m . . . . . 0 N--CA 1.441 -0.886 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.56 -30.38 60.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.283 0.563 . . . . 0.0 109.61 177.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.75 -33.66 46.34 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.258 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.785 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 0.0 OUTLIER -70.45 -47.71 59.35 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 16' ' ' VAL . 64.5 tp -57.59 -50.86 71.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.69 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.7 m -55.3 -41.36 72.24 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.349 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.31 92.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.902 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.98 -46.06 85.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.6 t -63.92 -43.27 97.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.017 0.437 . . . . 0.0 110.151 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -67.78 -22.9 65.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.062 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.771 ' O ' HG23 ' A' ' 22' ' ' VAL . 28.9 t70 -75.01 -44.12 49.84 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.22 -37.61 75.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.848 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.6 mt -66.93 -40.57 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.411 . . . . 0.0 110.134 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.59 84.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.362 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.802 HG21 HG21 ' B' ' 22' ' ' VAL . 60.1 t -58.84 -48.32 86.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.101 174.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.695 ' HG ' ' HB3' ' A' ' 28' ' ' ALA . 8.6 tt -55.69 -46.69 77.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.821 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -72.41 -37.67 68.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.954 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -63.08 -48.4 78.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.091 -179.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -89.25 10.63 21.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.669 -176.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.27 58.91 3.61 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.675 174.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.695 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . . . -97.53 113.0 62.79 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.173 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.62 163.47 37.32 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.278 1.986 . . . . 0.0 110.879 174.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.1 m -55.9 -30.85 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 120.575 0.226 . . . . 0.0 111.593 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.429 ' O ' HG13 ' A' ' 35' ' ' ILE . 3.5 m-20 -60.21 -64.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.409 0.623 . . . . 0.0 110.686 176.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.24 -32.46 66.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.191 -173.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.6 p -66.82 -36.52 82.56 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.436 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.8 -42.22 90.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.804 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 31' ' ' ASP . 55.5 mt -66.28 -38.35 81.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.611 177.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.485 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.8 -48.36 82.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.57 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.09 -39.55 92.82 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.332 177.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.86 -45.05 93.7 Favored Glycine 0 C--O 1.236 0.239 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.52 177.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -59.68 -46.34 89.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 110.403 177.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.7 tpt -70.99 -34.65 71.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.066 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.444 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.12 -57.18 13.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.777 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 p -62.42 -37.58 86.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.661 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -56.99 -52.52 64.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.852 176.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.7 -38.27 83.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.724 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 91.4 mt -64.89 -23.76 67.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.295 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.5 p -101.54 11.02 39.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.873 0.368 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.9 m -127.06 -51.21 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.0 t -92.63 -60.02 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -170.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.7 m -69.65 153.23 95.83 Favored Pre-proline 0 C--N 1.327 -0.373 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.181 -175.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.88 119.32 5.85 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.971 2.447 . . . . 0.0 111.716 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.22 -25.77 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.03 -173.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.0 m -77.82 -11.5 59.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.379 0.609 . . . . 0.0 110.823 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.537 ' HG2' ' HG ' ' A' ' 57' ' ' LEU . 55.1 tt0 -124.96 10.95 8.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.452 0.644 . . . . 0.0 109.431 -178.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 48.2 t -61.74 -61.07 2.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.821 -173.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -19.7 64.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.72 0.295 . . . . 0.0 111.475 -176.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.43 -52.31 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.959 0.409 . . . . 0.0 110.118 174.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.537 ' HG ' ' HG2' ' A' ' 53' ' ' GLN . 93.5 mt -64.99 -34.04 77.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.81 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.3 -45.98 92.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.782 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.607 HE21 HG13 ' B' ' 66' ' ' ILE . 62.0 mm-40 -68.36 -35.3 77.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.24 70.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.45 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 65.1 t80 -61.63 -40.98 96.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.926 178.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.614 ' O ' HG12 ' A' ' 66' ' ' ILE . 48.1 t -54.96 -59.38 4.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.924 177.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.71 -32.66 71.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.286 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.2 m -62.12 -43.51 98.66 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 94.1 mt -63.62 -43.92 95.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.589 177.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.614 HG12 ' O ' ' A' ' 62' ' ' SER . 18.8 mm -57.72 -45.29 86.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.136 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -69.24 -35.88 76.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.153 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.49 -50.19 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.939 0.399 . . . . 0.0 110.662 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.59 -33.29 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.957 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 19.3 tptt -60.24 -37.6 80.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.86 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.4 m -83.48 -33.37 25.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.091 0.472 . . . . 0.0 110.579 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -57.88 -52.35 65.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.58 0.705 . . . . 0.0 110.039 176.485 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.9 tp -76.21 -57.14 4.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.918 177.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 N--CA 1.467 0.377 0 O-C-N 123.805 0.691 . . . . 0.0 110.745 -171.779 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.509 ' HB3' ' HB3' ' B' ' 11' ' ' GLN . 44.9 t . . . . . 0 N--CA 1.438 -1.043 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.82 -15.78 63.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.273 0.559 . . . . 0.0 109.616 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.26 -38.91 18.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.078 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.509 ' HB3' ' HB3' ' B' ' 8' ' ' SER . 51.0 tt0 -72.59 -39.09 67.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.587 176.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.647 ' O ' HG23 ' B' ' 16' ' ' VAL . 57.7 tp -57.31 -57.52 12.26 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.572 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 8.4 p -56.73 -40.97 76.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.049 -177.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' B' ' 18' ' ' ASP . . . -60.28 -34.98 74.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.299 176.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.486 HG13 ' O ' ' B' ' 11' ' ' GLN . 98.5 mt -74.56 -48.63 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.992 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.647 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.4 t -62.28 -44.19 98.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.34 0.591 . . . . 0.0 109.657 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -64.86 -30.18 71.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.679 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' B' ' 14' ' ' ALA . 3.6 t70 -66.82 -44.81 80.19 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.483 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 66.5 mtt -60.29 -42.56 95.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.546 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 16' ' ' VAL . 69.5 mt -61.87 -48.54 88.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.077 0.465 . . . . 0.0 110.383 176.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.69 97.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.875 -177.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 22' ' ' VAL . 32.9 m -72.24 -28.94 30.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.941 -0.303 . . . . 0.0 111.177 -179.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 19' ' ' MET . 66.9 mt -71.17 -35.32 71.58 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 176.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -81.0 -21.27 40.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.956 0.408 . . . . 0.0 110.773 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -68.61 -41.3 79.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.185 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . 0.474 ' HD2' ' HB2' ' B' ' 28' ' ' ALA . 70.3 t60 -88.68 -18.98 26.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 171.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 pttp 40.51 80.09 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.533 -1.212 . . . . 0.0 112.771 -175.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.474 ' HB2' ' HD2' ' B' ' 26' ' ' HIS . . . -104.53 156.75 35.42 Favored Pre-proline 0 N--CA 1.447 -0.583 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.703 174.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.568 ' HB2' ' OD1' ' B' ' 31' ' ' ASP . 53.0 Cg_endo -69.7 159.12 54.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.566 1.51 . . . . 0.0 111.181 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 t -59.72 -27.61 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.415 -175.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.568 ' OD1' ' HB2' ' B' ' 29' ' ' PRO . 3.5 p-10 -65.02 -60.86 2.58 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.844 -177.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.88 -43.76 94.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.739 0.304 . . . . 0.0 111.434 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -65.51 -31.63 72.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 -176.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 16.0 tp -77.46 -35.08 54.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.758 0.313 . . . . 0.0 110.231 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 31' ' ' ASP . 80.1 mt -64.73 -37.71 80.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 120.936 0.398 . . . . 0.0 110.152 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.558 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -61.51 -47.75 84.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.209 174.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.14 -40.24 89.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.982 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.2 -47.5 89.31 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.448 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -62.23 -41.39 98.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.603 0.24 . . . . 0.0 110.958 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.6 ttt -67.87 -41.02 83.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.882 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.55 -51.41 68.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.107 0.479 . . . . 0.0 110.061 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 16.3 m -58.86 -47.79 83.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.111 177.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -51.46 -48.98 62.61 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.604 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.66 -47.98 67.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.679 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.479 ' HG ' HG11 ' B' ' 49' ' ' VAL . 5.6 mp -77.12 -1.5 29.52 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -174.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.2 p -112.28 4.86 17.99 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.5 m -137.48 -42.29 0.55 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.6 t -125.6 29.66 5.93 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.009 -0.676 . . . . 0.0 112.533 -169.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.562 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 28.5 m -123.09 169.05 10.67 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 72.5 Cg_exo -51.39 109.87 0.36 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.37 2.046 . . . . 0.0 111.524 174.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.15 -45.07 94.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.175 -172.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 5.8 m -85.0 -6.43 59.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.133 0.492 . . . . 0.0 110.992 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.461 ' HB3' ' HB2' ' B' ' 50' ' ' PRO . 8.3 tt0 -126.06 21.22 7.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.525 0.679 . . . . 0.0 109.931 -176.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 6.1 p -63.67 -54.59 33.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.553 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.61 -34.51 71.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.95 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.5 -51.92 65.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.37 -40.27 93.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.047 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.35 69.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.288 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -68.31 -39.52 81.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.67 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.71 -53.82 50.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.994 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -61.38 -38.42 86.96 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.049 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.583 ' O ' HG12 ' B' ' 66' ' ' ILE . 39.4 t -62.24 -51.55 67.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.82 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -62.81 -40.88 98.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.966 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 64.3 p -69.96 -25.02 63.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.0 110.424 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 69' ' ' VAL . 28.6 tp -72.13 -37.16 69.51 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 177.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.607 HG13 HE21 ' A' ' 59' ' ' GLN . 14.2 mm -62.15 -42.21 94.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -63.28 -41.72 99.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.827 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' B' ' 72' ' ' ARG . . . -60.79 -47.03 88.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.93 177.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 65' ' ' LEU . 82.7 t -59.0 -43.06 88.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.892 0.377 . . . . 0.0 110.358 176.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -59.27 -43.45 92.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.57 175.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 27.5 m -66.78 -24.53 66.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.052 0.453 . . . . 0.0 111.09 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' B' ' 68' ' ' ALA . 53.9 mmt-85 -78.16 -43.13 29.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.059 0.457 . . . . 0.0 109.973 175.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 8.7 tt . . . . . 0 C--O 1.235 0.297 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.797 -177.452 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.462 ' HB2' ' CB ' ' A' ' 11' ' ' GLN . 6.3 m . . . . . 0 N--CA 1.444 -0.766 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -63.69 -23.37 67.35 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.6 -34.94 40.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 109.587 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.462 ' CB ' ' HB2' ' A' ' 8' ' ' SER . 34.7 tt0 -70.54 -38.26 74.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.044 177.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.668 ' O ' HG23 ' A' ' 16' ' ' VAL . 62.7 tp -58.39 -55.5 34.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.361 175.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.8 m -51.78 -42.57 62.52 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.478 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.22 91.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.02 0.438 . . . . 0.0 111.282 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.6 mt -68.91 -47.67 74.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.3 t -64.17 -41.05 91.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.968 0.413 . . . . 0.0 110.283 -178.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -64.09 -33.57 76.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.435 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.721 ' O ' HG23 ' A' ' 22' ' ' VAL . 35.0 t70 -65.94 -48.19 72.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.9 mtt -55.74 -40.41 72.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.224 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 16' ' ' VAL . 77.9 mt -58.31 -45.99 89.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.966 0.412 . . . . 0.0 110.21 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.75 -44.75 84.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.511 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 18' ' ' ASP . 42.8 t -56.3 -46.78 81.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.137 0.494 . . . . 0.0 110.66 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' A' ' 28' ' ' ALA . 21.1 tp -61.47 -39.26 90.24 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.654 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -72.89 -39.77 66.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.368 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -61.98 -46.75 87.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -176.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -80.33 -20.83 43.34 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt 62.71 84.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.341 -175.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -101.17 111.54 63.68 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.2 162.27 30.58 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.316 2.011 . . . . 0.0 111.583 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -48.71 -33.6 5.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 O-C-N 123.5 0.5 . . . . 0.0 111.036 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.519 ' O ' HG13 ' A' ' 35' ' ' ILE . 2.8 m-20 -55.8 -71.56 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.509 0.671 . . . . 0.0 110.894 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.8 mt -68.47 -30.22 69.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.416 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.4 t -61.0 -48.17 83.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.612 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.6 mt -68.17 -38.45 82.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.011 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 31' ' ' ASP . 45.8 mt -67.4 -38.59 81.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.826 0.346 . . . . 0.0 110.631 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.518 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -62.9 -44.72 95.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.306 175.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.639 ' HG ' HD11 ' B' ' 37' ' ' LEU . 8.0 tt -59.44 -44.4 92.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.979 177.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.32 -51.08 61.26 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.467 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -61.14 -40.19 92.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.699 0.285 . . . . 0.0 111.085 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.462 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 27.6 ttt -65.3 -51.25 61.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.0 75.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.596 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.3 p -63.83 -40.14 95.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -63.75 -36.93 85.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.725 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 40' ' ' MET . 63.7 mt -73.18 -45.3 57.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.211 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.541 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 95.0 mt -67.02 -19.39 65.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.577 -177.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -96.74 -5.03 39.61 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.127 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.1 m -106.61 -54.33 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.606 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.3 m -95.7 24.85 4.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -176.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.541 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 2.3 p -56.79 123.16 56.79 Favored Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.424 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -66.79 -84.65 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 122.719 2.28 . . . . 0.0 112.537 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -137.02 -114.09 0.17 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.2 m -101.61 -16.24 16.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.76 0.791 . . . . 0.0 110.319 -178.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -73.56 -1.7 19.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.009 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.421 ' HB3' HG23 ' A' ' 49' ' ' VAL . 7.4 p -58.36 -48.15 81.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.365 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.415 ' HB3' HG23 ' B' ' 66' ' ' ILE . 23.5 mt-10 -62.52 -47.84 82.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.952 176.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.57 -50.25 74.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.76 -175.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.6 -37.9 83.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.202 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.06 92.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.966 0.412 . . . . 0.0 110.598 178.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -66.2 -45.29 81.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.067 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.19 70.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.276 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -57.2 -51.35 69.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 66' ' ' ILE . 20.8 p -65.57 -52.36 52.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.072 -176.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -53.48 -47.21 69.99 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.597 0.359 . . . . 0.0 111.127 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.6 t -67.24 -33.99 76.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.3 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.594 HD11 ' HA ' ' B' ' 42' ' ' SER . 30.4 tp -65.88 -39.44 90.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.084 177.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.686 HG12 ' O ' ' A' ' 62' ' ' SER . 21.0 mm -62.91 -43.81 99.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 121.586 0.707 . . . . 0.0 109.524 176.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -65.02 -34.2 77.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.07 94.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.22 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.15 -44.04 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.21 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -58.83 -36.56 74.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.072 0.463 . . . . 0.0 110.851 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.0 m -75.8 -21.69 57.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.953 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.1 -47.25 37.55 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 73' ' ' LEU . 3.9 mm? -68.97 -37.48 78.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.817 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 121.68 0.752 . . . . 0.0 109.841 175.324 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 44.2 m . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -70.44 -16.26 62.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.162 0.506 . . . . 0.0 109.653 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.99 -45.99 75.92 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.524 172.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.488 ' O ' HG13 ' B' ' 15' ' ' ILE . 28.9 mm-40 -59.92 -46.42 89.43 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.927 174.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.706 ' O ' HG23 ' B' ' 16' ' ' VAL . 47.5 tp -55.26 -57.85 10.11 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.009 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 21.5 m -53.65 -42.03 67.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.109 -177.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.04 97.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.702 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 11' ' ' GLN . 85.0 mt -66.22 -47.62 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.706 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.5 t -65.74 -34.84 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.93 -43.86 82.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.264 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.526 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.7 m-20 -63.96 -35.83 81.97 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.565 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.419 ' HG2' ' O ' ' B' ' 15' ' ' ILE . 93.3 mmm -56.52 -42.95 79.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.874 0.369 . . . . 0.0 110.331 175.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 49.5 mm -74.76 -41.74 47.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.13 -47.15 81.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.774 0.321 . . . . 0.0 111.261 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 18' ' ' ASP . 64.5 t -65.55 -32.62 59.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.315 0.579 . . . . 0.0 109.849 178.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.85 -52.4 60.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.871 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -74.61 -22.64 58.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.855 -174.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 11.8 ptmm? -71.97 -22.4 61.45 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -78.67 -27.73 45.22 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 170.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 tptt 66.53 41.75 3.05 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.682 176.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.85 146.49 31.39 Favored Pre-proline 0 N--CA 1.449 -0.524 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.79 158.41 42.65 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.285 1.99 . . . . 0.0 111.432 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 10.4 p -56.6 -24.24 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.494 -177.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.479 ' O ' HG13 ' B' ' 35' ' ' ILE . 14.4 t70 -67.04 -64.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.977 -178.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.5 tp -63.16 -39.12 93.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.992 -177.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -67.19 -31.16 71.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.046 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 7.2 tt -71.33 -33.61 69.79 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 31' ' ' ASP . 52.2 mt -63.19 -39.18 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.28 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -59.58 -42.75 93.21 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.515 174.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.639 HD11 ' HG ' ' A' ' 37' ' ' LEU . 61.8 tp -63.85 -40.55 96.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.568 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.83 -44.77 97.42 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.062 178.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -60.29 -42.06 94.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.982 0.42 . . . . 0.0 110.182 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.508 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 47.7 ttm -61.12 -52.72 63.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.563 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.76 -50.03 71.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.095 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.594 ' HA ' HD11 ' A' ' 65' ' ' LEU . 24.0 m -56.77 -47.94 78.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.739 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -61.93 -39.65 92.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.08 -178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' B' ' 40' ' ' MET . 63.8 mt -65.75 -46.19 79.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.735 0.302 . . . . 0.0 111.235 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.488 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 6.2 mp -70.89 -18.19 62.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.137 0.494 . . . . 0.0 111.82 -177.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 24.4 p -102.05 1.35 36.33 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.048 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 92.4 m -126.62 -45.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.3 m -107.74 23.84 13.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.973 0.416 . . . . 0.0 111.091 -174.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.838 HG22 ' H ' ' B' ' 51' ' ' GLN . 8.2 p -77.34 121.61 84.77 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 121.186 0.517 . . . . 0.0 111.835 -175.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 1.042 ' HD2' ' HB2' ' B' ' 54' ' ' CYS . 11.9 Cg_exo -73.21 2.74 5.25 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.417 2.744 . . . . 0.0 112.456 174.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.838 ' H ' HG22 ' B' ' 49' ' ' VAL . 30.0 tt0 75.53 -57.51 0.58 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.044 0.938 . . . . 0.0 112.424 172.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 8.4 t -95.66 -35.09 11.72 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -171.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -87.52 -39.86 14.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.865 0.365 . . . . 0.0 111.108 -176.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . 1.042 ' HB2' ' HD2' ' B' ' 50' ' ' PRO . 46.1 t -59.54 -40.85 88.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.631 -175.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -59.28 -58.88 6.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 111.166 -177.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.85 84.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.382 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.64 -41.29 84.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.687 -175.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.53 94.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.943 0.402 . . . . 0.0 110.614 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -67.1 -40.0 86.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.437 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.1 -50.48 73.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.751 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -58.75 -46.33 87.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.375 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.704 ' O ' HG12 ' B' ' 66' ' ' ILE . 44.9 m -59.16 -53.82 54.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -38.29 83.54 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 111.243 -178.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 46.4 m -65.78 -36.46 83.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.185 0.517 . . . . 0.0 110.211 177.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.476 ' O ' HG23 ' B' ' 69' ' ' VAL . 14.9 tp -68.25 -40.74 81.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.309 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.704 HG12 ' O ' ' B' ' 62' ' ' SER . 29.5 mm -60.19 -49.06 85.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 -177.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -75.35 -20.94 58.72 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.703 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.56 80.51 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 65' ' ' LEU . 90.8 t -62.43 -40.48 88.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.195 174.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -54.78 -42.17 71.41 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 111.069 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 31.3 m -73.12 -41.71 63.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.895 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -29.36 65.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.956 0.408 . . . . 0.0 110.57 -178.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 42.9 tp . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.608 175.837 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.684 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 44.7 t . . . . . 0 N--CA 1.438 -1.058 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -69.44 -12.98 62.1 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.57 -36.66 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.6 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.684 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 1.0 OUTLIER -68.98 -42.4 76.59 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.624 173.188 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.1 tm? -54.47 -57.55 10.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.288 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 p -58.65 -41.3 85.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.278 -177.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.99 97.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.302 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 11' ' ' GLN . 88.9 mt -62.29 -46.59 96.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.689 0.28 . . . . 0.0 110.827 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.5 t -70.01 -41.36 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -61.62 -46.91 87.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.169 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.717 ' O ' HG23 ' A' ' 22' ' ' VAL . 10.4 t70 -66.7 -39.84 88.22 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 50.0 tpp -61.89 -34.58 76.3 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.849 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 16' ' ' VAL . 84.2 mt -58.31 -46.88 88.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.188 0.518 . . . . 0.0 109.655 173.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 25' ' ' LYS . . . -65.7 -39.57 91.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.747 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 18' ' ' ASP . 53.8 t -59.97 -44.35 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 121.238 0.542 . . . . 0.0 110.343 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.1 tp -65.27 -38.08 89.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.402 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.525 ' HG3' ' HE2' ' A' ' 27' ' ' LYS . 38.6 tt0 -67.53 -25.99 66.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.961 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 73.7 mmtt -70.38 -26.2 63.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.389 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -105.81 -32.29 8.45 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.979 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HE2' ' HG3' ' A' ' 24' ' ' GLU . 28.3 mmtp 60.42 81.01 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.975 0.797 . . . . 0.0 111.519 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.24 135.38 73.04 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.749 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.02 36.06 0.32 Allowed 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 123.073 2.515 . . . . 0.0 113.43 -176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.5 t 70.93 -55.4 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 123.751 0.82 . . . . 0.0 111.019 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.658 ' O ' HG12 ' A' ' 35' ' ' ILE . 12.4 m-20 -54.03 -64.49 0.81 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.165 -177.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.596 HD22 ' HB2' ' B' ' 12' ' ' LEU . 85.0 mt -60.43 -28.16 68.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.584 -175.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -67.94 -36.13 79.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.112 0.482 . . . . 0.0 109.851 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -79.06 -32.1 44.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.953 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.658 HG12 ' O ' ' A' ' 31' ' ' ASP . 8.1 mm -69.77 -47.56 69.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -53.49 17.46 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.952 171.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.27 -43.2 99.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.445 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.69 -50.23 69.38 Favored Glycine 0 C--O 1.236 0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.569 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.07 -40.42 90.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.94 0.4 . . . . 0.0 110.209 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 41.7 ttm -60.09 -48.69 80.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.748 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -53.25 -55.66 22.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.877 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.5 m -59.32 -48.79 80.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.123 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -63.01 -45.44 92.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.137 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.5 mt -70.93 -37.42 72.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.565 0.222 . . . . 0.0 111.523 -178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HA ' HG22 ' A' ' 49' ' ' VAL . 80.9 mt -69.18 -21.25 63.99 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.972 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.464 HG21 ' HG3' ' B' ' 72' ' ' ARG . 23.4 p -100.52 7.11 44.31 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.409 -0.516 . . . . 0.0 112.244 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.2 p -137.06 -45.87 0.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.4 m -94.89 -43.2 8.3 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -167.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 45' ' ' LEU . 13.3 m -84.87 157.07 60.76 Favored Pre-proline 0 C--N 1.323 -0.558 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.069 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.41 114.77 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.654 2.236 . . . . 0.0 111.876 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.455 ' HA ' ' HB2' ' A' ' 54' ' ' CYS . 3.1 pt20 -66.74 -20.37 65.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.231 -176.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.505 HG23 ' HG3' ' A' ' 53' ' ' GLN . 12.9 t -77.78 -5.17 49.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.163 0.506 . . . . 0.0 110.461 176.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.508 ' HB3' HD13 ' A' ' 57' ' ' LEU . 24.1 mt-30 -131.15 15.82 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.972 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 51' ' ' GLN . 48.7 t -63.17 -48.98 76.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.696 -174.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -71.89 -35.81 69.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.838 -179.431 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.03 -53.33 58.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.992 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 53' ' ' GLN . 10.1 mp -67.33 -37.43 83.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.56 -51.4 69.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.898 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -66.71 -41.62 87.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.35 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.18 -48.09 82.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.372 . . . . 0.0 110.597 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.25 -44.83 94.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.368 177.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.644 ' O ' HG12 ' A' ' 66' ' ' ILE . 49.3 m -59.51 -58.14 9.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.389 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -59.63 -30.46 68.72 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.985 -175.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.6 m -65.91 -41.7 91.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.793 0.33 . . . . 0.0 110.265 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.68 -43.55 79.89 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.272 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 62' ' ' SER . 28.9 mm -53.88 -47.03 64.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.87 177.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.94 -50.34 74.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.877 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.52 -47.6 83.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.756 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.4 t -67.4 -41.43 86.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.101 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 37.3 ttmt -70.08 -35.7 74.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.693 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 60.9 m -75.18 -20.85 59.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.463 . . . . 0.0 110.565 176.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -71.88 -44.41 63.81 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.6 tp -63.39 -58.14 8.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.765 176.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 71' ' ' THR . 38.7 tt0 . . . . . 0 N--CA 1.473 0.689 0 O-C-N 124.484 1.115 . . . . 0.0 113.701 170.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.712 ' HB2' ' HB3' ' B' ' 11' ' ' GLN . 20.1 m . . . . . 0 N--CA 1.44 -0.962 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -61.03 -24.36 66.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.146 0.498 . . . . 0.0 110.236 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.88 -39.0 44.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.033 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.712 ' HB3' ' HB2' ' B' ' 8' ' ' SER . 7.6 tt0 -71.14 -41.81 69.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.917 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.604 ' CD1' ' HB ' ' A' ' 35' ' ' ILE . 23.4 tp -54.01 -56.2 20.16 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.071 177.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . 0.835 ' HA ' HG12 ' B' ' 16' ' ' VAL . 23.7 p -77.15 -14.7 59.75 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.97 -172.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.82 76.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.177 0.513 . . . . 0.0 109.63 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mt -67.68 -48.76 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.902 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.835 HG12 ' HA ' ' B' ' 13' ' ' SER . 9.8 p -72.49 -20.89 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.682 -178.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' B' ' 13' ' ' SER . 46.4 t-20 -61.34 -53.38 57.43 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 173.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.542 ' O ' HG23 ' B' ' 22' ' ' VAL . 4.4 m-20 -55.77 -52.78 62.76 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.621 175.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.429 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 62.2 mtt -49.02 -55.62 11.46 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.877 -177.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 68.2 mt -67.05 -43.45 88.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.732 0.301 . . . . 0.0 111.226 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.16 -34.28 77.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.613 -177.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 18' ' ' ASP . 70.7 t -68.6 -42.04 83.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' B' ' 19' ' ' MET . 96.5 mt -61.14 -40.21 92.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.089 0.471 . . . . 0.0 109.959 175.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.2 -52.6 63.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.64 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -60.38 -34.03 73.31 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 111.32 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -75.57 -17.38 60.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 60.77 37.24 18.94 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.759 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.95 127.5 83.66 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.635 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.95 162.54 25.38 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.78 2.32 . . . . 0.0 112.024 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -60.23 -21.69 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.613 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.507 ' O ' HG13 ' B' ' 35' ' ' ILE . 11.4 m-20 -65.72 -67.03 0.47 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.22 0.533 . . . . 0.0 110.947 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 12' ' ' LEU . 87.3 mt -68.59 -30.92 69.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.947 -172.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.5 p -64.13 -45.53 88.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.679 0.276 . . . . 0.0 110.803 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.05 -36.26 82.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.166 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.507 HG13 ' O ' ' B' ' 31' ' ' ASP . 60.9 mt -65.27 -43.71 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.656 0.265 . . . . 0.0 110.424 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.32 -42.01 90.41 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.883 0.373 . . . . 0.0 110.681 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.49 -39.7 94.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.332 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.56 -38.75 96.89 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.178 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -45.98 90.12 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 20.9 mmt -62.49 -50.05 72.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.942 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.4 27.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.217 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.3 p -62.22 -44.29 96.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.373 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.71 -42.04 92.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.246 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -79.3 -37.71 37.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.912 0.387 . . . . 0.0 111.153 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -71.27 -14.21 62.15 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.399 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 10.9 p -97.13 -25.58 15.27 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.647 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.7 p -109.13 -36.83 5.95 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -172.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.7 m -89.06 -51.89 5.36 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -169.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.32 149.14 91.4 Favored Pre-proline 0 C--O 1.236 0.383 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.897 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.17 122.71 12.2 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.268 2.646 . . . . 0.0 112.646 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -62.37 -19.69 63.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.821 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . 0.604 HG23 ' HG3' ' B' ' 53' ' ' GLN . 9.0 t -73.91 -15.15 61.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.687 0.279 . . . . 0.0 110.943 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.604 ' HG3' HG23 ' B' ' 52' ' ' THR . 28.6 mt-30 -133.14 22.79 4.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.34 -177.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 7.2 p -59.2 -49.44 77.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.906 -174.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' B' ' 55' ' ' GLU . 0.0 OUTLIER -73.97 -27.2 60.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.617 0.246 . . . . 0.0 111.619 -178.233 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.86 -47.93 41.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.835 0.35 . . . . 0.0 110.778 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.86 -32.36 72.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.533 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.49 ' HB1' HD13 ' A' ' 66' ' ' ILE . . . -61.9 -42.31 98.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.094 0.473 . . . . 0.0 110.419 175.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -68.9 -38.57 79.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.804 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.32 95.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.784 0.326 . . . . 0.0 110.697 177.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.523 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 51.9 t80 -59.13 -44.31 92.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.109 175.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.698 ' O ' HG12 ' B' ' 66' ' ' ILE . 34.0 t -62.63 -59.98 4.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.838 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -54.51 -41.23 69.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.218 -173.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 61.7 p -67.48 -39.04 85.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 74.5 mt -65.79 -45.62 81.76 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.751 0.31 . . . . 0.0 110.786 177.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.698 HG12 ' O ' ' B' ' 62' ' ' SER . 5.7 mm -62.49 -40.34 87.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -69.8 -34.66 74.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.635 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.9 -46.17 91.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.271 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 65' ' ' LEU . 60.3 t -59.0 -40.95 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.258 175.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -64.54 -31.4 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.136 177.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 11.5 m -84.9 -7.88 58.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.622 0.725 . . . . 0.0 110.438 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.623 ' HA ' ' NE ' ' B' ' 72' ' ' ARG . 4.6 mmp_? -93.59 -49.34 5.93 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.423 0.63 . . . . 0.0 110.24 173.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.492 176.71 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.42 ' HB2' ' HB3' ' A' ' 11' ' ' GLN . 17.4 m . . . . . 0 N--CA 1.437 -1.078 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -62.37 -14.9 44.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.429 0.633 . . . . 0.0 109.369 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.02 -41.61 35.18 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.112 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.48 ' O ' HG13 ' A' ' 15' ' ' ILE . 4.4 tt0 -71.2 -38.94 72.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.799 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 16' ' ' VAL . 55.4 tp -53.79 -61.73 2.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 177.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 p -56.77 -36.83 70.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.32 -177.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.49 92.95 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.819 0.342 . . . . 0.0 110.648 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 11' ' ' GLN . 84.7 mt -67.71 -49.47 69.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.79 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.6 t -63.97 -41.34 92.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.603 -175.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -62.35 -41.55 98.69 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.206 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.716 ' O ' HG23 ' A' ' 22' ' ' VAL . 36.1 t70 -66.3 -51.12 60.54 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.42 ' O ' HD23 ' A' ' 23' ' ' LEU . 40.5 ttp -51.47 -45.28 62.69 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.271 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 78.8 mt -60.69 -51.02 77.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.626 0.25 . . . . 0.0 110.704 177.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.84 96.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.283 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 18' ' ' ASP . 62.8 t -59.35 -46.1 92.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.702 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 19' ' ' MET . 4.1 mm? -64.8 -36.51 84.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.248 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 20' ' ' ILE . 19.0 mm-40 -64.71 -41.61 95.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.013 0.435 . . . . 0.0 110.371 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -69.05 -33.61 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.823 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -77.39 -27.75 52.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.049 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt 56.18 76.7 0.28 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.499 0.666 . . . . 0.0 110.505 -177.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.09 134.05 21.15 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.611 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -69.23 152.76 72.06 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.418 2.079 . . . . 0.0 111.707 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.15 -18.06 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.887 -176.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.472 ' O ' HG13 ' A' ' 35' ' ' ILE . 12.2 m-20 -63.66 -66.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.9 -36.81 83.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.004 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 t -58.44 -52.62 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.052 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 34' ' ' LEU . 4.3 mm? -73.35 -27.67 61.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.466 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 31' ' ' ASP . 79.1 mt -72.08 -39.45 65.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.399 176.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.36 -45.92 91.78 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.8 -36.39 82.27 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.807 176.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.39 -53.4 36.13 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.228 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.16 -39.63 87.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.803 0.335 . . . . 0.0 110.667 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.501 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 2.0 tpt -65.48 -49.89 67.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.463 178.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.3 -46.2 86.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.882 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -59.86 -48.24 82.49 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.162 0.506 . . . . 0.0 110.824 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -63.68 -38.59 91.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.669 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 40' ' ' MET . 76.0 mt -69.58 -39.16 77.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.031 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 84.7 mt -68.29 -17.3 64.24 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.226 -0.296 . . . . 0.0 111.205 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 p -105.55 9.83 33.29 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 175.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.8 m -138.16 -44.32 0.51 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.55 ' HB3' ' HB ' ' B' ' 30' ' ' VAL . 49.1 m -83.31 -13.5 54.98 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -173.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.495 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 19.6 m -89.65 162.86 35.02 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.495 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 10.1 Cg_endo -54.57 -74.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.798 2.332 . . . . 0.0 111.584 173.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -179.98 -80.55 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.666 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.4 m -69.42 -35.76 76.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.524 -173.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -69.96 -6.61 34.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.601 -175.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.488 ' SG ' HG11 ' B' ' 69' ' ' VAL . 48.9 t -56.33 -38.73 71.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.409 -178.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.98 -42.91 95.21 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.076 0.465 . . . . 0.0 110.512 -177.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.98 -45.23 64.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.046 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.87 -41.84 91.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.634 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.19 95.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.769 0.319 . . . . 0.0 110.642 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -70.11 -30.22 67.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.063 0.459 . . . . 0.0 110.369 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.56 76.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.099 174.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.07 -39.69 95.46 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.009 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.618 ' O ' HG12 ' A' ' 66' ' ' ILE . 29.2 t -54.22 -61.87 2.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.561 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -62.13 -27.07 68.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.037 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.1 t -63.0 -44.69 95.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.13 -39.23 86.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.24 176.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.618 HG12 ' O ' ' A' ' 62' ' ' SER . 34.1 mm -58.03 -51.18 73.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.848 177.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -63.61 -36.38 83.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.723 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.65 83.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.833 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.9 t -63.99 -43.02 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.567 ' HD3' ' O ' ' A' ' 66' ' ' ILE . 5.7 mptp? -62.03 -39.88 93.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.945 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.8 m -75.56 -19.89 58.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.178 0.513 . . . . 0.0 110.822 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.523 ' HG3' ' HB ' ' B' ' 46' ' ' THR . 1.4 tmt_? -73.64 -37.38 65.36 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.9 mt -81.99 -39.3 23.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.684 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.717 -177.171 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.456 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 48.2 t . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.07 -23.9 67.31 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 173.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.7 -38.55 64.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.242 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.841 HE21 ' HA ' ' B' ' 11' ' ' GLN . 0.0 OUTLIER -70.73 -40.0 73.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 177.072 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.58 -56.77 17.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.437 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . 0.415 ' HA ' HG23 ' B' ' 16' ' ' VAL . 11.8 p -59.18 -37.58 77.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.381 -177.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -36.81 79.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 111.313 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 63.1 mt -69.65 -43.0 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.623 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.415 HG23 ' HA ' ' B' ' 13' ' ' SER . 0.0 OUTLIER -70.53 -27.87 32.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.195 179.41 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -67.7 -32.54 73.25 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.828 175.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.741 ' O ' HG23 ' B' ' 22' ' ' VAL . 34.4 t70 -68.48 -42.39 78.74 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.453 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 26.3 mmt -52.57 -45.28 66.38 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.554 0.533 . . . . 0.0 110.791 176.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 71.8 mt -58.69 -42.57 85.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.296 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.635 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -66.47 -37.94 86.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.868 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 18' ' ' ASP . 44.8 t -58.56 -45.45 90.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.264 177.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 19' ' ' MET . 65.3 mt -64.66 -44.36 90.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.984 176.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -59.88 -27.62 66.85 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.361 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.635 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 92.0 mttt -58.06 -50.0 74.94 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.075 0.464 . . . . 0.0 110.811 178.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -97.81 -18.45 18.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.544 -175.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 tttm 57.02 58.86 3.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.76 0.791 . . . . 0.0 109.266 -177.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.42 157.12 36.76 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.115 -173.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.519 ' HD2' HD12 ' B' ' 32' ' ' LEU . 57.9 Cg_endo -71.92 172.12 15.24 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.638 2.225 . . . . 0.0 112.194 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.55 ' HB ' ' HB3' ' A' ' 48' ' ' SER . 29.7 m -60.26 -32.53 50.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -176.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.568 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.2 m-20 -63.52 -55.64 22.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.645 0.26 . . . . 0.0 110.852 -177.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.519 HD12 ' HD2' ' B' ' 29' ' ' PRO . 84.2 mt -61.33 -39.44 90.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.78 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 40.8 t -61.73 -38.9 89.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.536 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -73.73 -39.88 63.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.947 -176.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 31' ' ' ASP . 48.2 mt -70.12 -36.23 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.884 -178.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.55 -45.17 94.88 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 174.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.56 -39.86 95.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.538 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.88 -51.76 57.0 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.675 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -62.1 -40.01 94.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.735 0.302 . . . . 0.0 110.406 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 14.1 tpt -64.39 -47.24 79.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.839 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.81 75.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.621 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.8 m -58.19 -49.31 77.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.364 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -54.32 -50.18 67.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.135 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 58.9 mt -67.58 -40.97 84.84 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.5 mt -74.67 -10.57 59.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.523 ' HB ' ' HG3' ' A' ' 72' ' ' ARG . 25.5 p -105.78 -2.83 22.72 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.509 -0.476 . . . . 0.0 112.175 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.6 p -131.54 -41.81 1.06 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -175.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -112.39 28.67 8.57 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -167.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.45 153.89 50.36 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.56 ' HD2' HD22 ' B' ' 57' ' ' LEU . 67.1 Cg_exo -52.22 112.04 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.54 2.16 . . . . 0.0 111.277 175.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -28.46 67.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -172.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 33.5 p -83.45 -33.57 25.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.223 0.535 . . . . 0.0 111.724 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -103.93 16.27 26.71 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.352 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 17.3 p -56.59 -44.52 81.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.468 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -54.49 -46.68 73.47 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.353 0.597 . . . . 0.0 110.738 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.7 -43.99 78.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.459 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.56 HD22 ' HD2' ' B' ' 50' ' ' PRO . 9.8 mp -70.8 -37.54 73.29 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.37 -49.29 78.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 0.0 110.455 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -71.29 -31.52 67.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.007 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.52 -49.83 69.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.063 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.435 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 38.1 t80 -63.01 -46.44 87.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.823 0.344 . . . . 0.0 110.573 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.57 ' HB2' ' OG ' ' A' ' 62' ' ' SER . 8.5 p -64.9 -52.65 55.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.366 -176.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.408 ' HA ' HG12 ' B' ' 66' ' ' ILE . 88.5 m-20 -66.15 -26.17 67.31 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.616 0.246 . . . . 0.0 111.165 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 27.1 t -64.65 -40.21 95.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 91.8 mt -63.32 -42.6 99.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.291 178.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.427 HG12 ' O ' ' B' ' 62' ' ' SER . 13.5 mm -57.38 -48.43 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.413 0.625 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -68.6 -40.32 80.51 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.151 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.77 80.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.488 HG11 ' SG ' ' A' ' 54' ' ' CYS . 97.1 t -61.05 -48.83 87.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.414 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -55.64 -53.18 59.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.4 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 26.1 m -70.64 -26.26 63.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.681 -174.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -52.38 12.84 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 176.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.904 -178.082 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 120.476 0.179 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.78 -158.99 0.34 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-O 120.848 0.356 . . . . 0.0 110.76 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -72.62 108.13 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.133 0.492 . . . . 0.0 110.61 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -125.51 5.16 7.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.202 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m -78.33 105.26 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.003 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -89.13 11.7 17.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 61.55 83.45 0.15 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.583 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.6 m -112.16 143.67 42.82 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.991 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.13 -29.63 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 173.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.41 -38.97 74.7 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.043 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -72.01 -43.36 65.15 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' ' 16' ' ' VAL . 54.3 tp -59.05 -54.75 43.5 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.94 178.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.7 p -56.35 -37.52 70.13 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.405 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.72 94.21 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.829 0.347 . . . . 0.0 110.809 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.22 -50.31 69.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.7 t -65.93 -38.07 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.454 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -55.87 -47.64 76.97 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.821 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 22' ' ' VAL . 38.5 t70 -66.16 -48.22 71.48 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.583 ' SD ' ' HG3' ' B' ' 19' ' ' MET . 52.1 tpp -51.49 -46.65 63.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.079 0.466 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.8 mt -70.16 -44.1 78.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.564 ' O ' ' HG2' ' A' ' 25' ' ' LYS . . . -65.37 -35.0 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 0.0 111.433 -177.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.662 HG11 HG11 ' B' ' 22' ' ' VAL . 92.2 t -70.01 -45.3 76.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.221 177.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 33' ' ' SER . 48.8 tp -61.78 -34.61 76.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.013 176.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.51 -33.26 75.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.271 177.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 42.1 mmtm -66.54 -44.27 82.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.786 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -75.04 -30.68 61.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 tptm 60.76 75.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.929 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.26 139.9 48.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.498 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -78.5 41.05 0.98 Allowed 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.184 2.589 . . . . 0.0 113.026 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 66.7 t 72.54 -53.54 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 123.223 0.609 . . . . 0.0 111.798 178.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.519 ' O ' HG13 ' A' ' 35' ' ' ILE . 25.6 t70 -56.93 -55.76 30.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.033 -177.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.417 HD21 ' CD1' ' B' ' 7' ' ' TYR . 65.2 mt -58.96 -41.6 87.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.022 -178.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.449 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.5 p -66.93 -29.86 69.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.613 0.244 . . . . 0.0 111.501 -177.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 83.7 mt -74.89 -29.25 60.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.751 0.31 . . . . 0.0 110.335 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 31' ' ' ASP . 38.5 mt -72.88 -41.56 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.138 177.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.443 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.41 -42.04 95.16 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.132 0.491 . . . . 0.0 109.918 174.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.551 ' HG ' HD11 ' B' ' 37' ' ' LEU . 7.6 tt -61.36 -45.89 92.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.501 175.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.25 -48.4 86.14 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.392 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -54.84 -49.17 71.74 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 110.517 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.6 tpt -69.08 -41.12 77.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.282 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.83 -46.64 87.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.614 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.9 m -59.7 -46.97 87.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.146 0.498 . . . . 0.0 110.172 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -56.39 -47.65 78.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.885 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.74 -44.56 70.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.459 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.37 -10.13 58.17 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.6 p -109.37 5.87 23.87 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.456 -0.497 . . . . 0.0 111.518 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.9 m -133.43 -45.28 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -175.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -113.18 28.1 9.06 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -168.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.0 m -123.32 150.89 61.55 Favored Pre-proline 0 C--N 1.324 -0.509 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.46 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.69 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . 32.3 Cg_exo -58.73 128.96 30.03 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.515 2.144 . . . . 0.0 111.131 174.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -60.98 -43.52 98.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.007 0.432 . . . . 0.0 111.409 -171.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.441 HG23 ' HG3' ' A' ' 53' ' ' GLN . 14.7 t -90.94 -9.48 45.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.461 -174.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.69 ' HB2' ' HB2' ' A' ' 50' ' ' PRO . 50.0 mt-30 -117.96 19.34 13.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.072 0.463 . . . . 0.0 110.47 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 p -61.18 -45.99 92.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.318 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -64.61 -42.81 95.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.59 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.67 -55.51 29.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.618 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.59 -34.62 78.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.31 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.2 89.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.76 0.314 . . . . 0.0 110.714 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.52 HE21 ' CA ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -68.59 -39.74 80.79 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.154 177.2 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.04 91.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.57 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 21.4 t80 -58.59 -50.91 72.09 Favored 'General case' 0 N--CA 1.461 0.097 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.65 ' O ' HG12 ' A' ' 66' ' ' ILE . 23.8 t -59.82 -54.79 42.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.395 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -52.06 -44.67 64.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.369 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.2 t -63.22 -35.17 79.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.692 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 57.4 mt -75.23 -38.08 60.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.507 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.65 HG12 ' O ' ' A' ' 62' ' ' SER . 21.0 mm -61.02 -43.73 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -61.56 -40.44 94.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.414 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.99 98.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.65 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 65' ' ' LEU . 92.5 t -63.06 -42.28 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.656 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -57.84 -53.92 52.71 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.9 m -73.29 -17.41 61.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.179 0.514 . . . . 0.0 111.25 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.702 ' HE ' ' HA ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -72.44 -56.18 5.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.116 0.484 . . . . 0.0 109.77 174.33 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.78 -49.78 69.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.491 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.69 97.83 11.03 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -128.32 10.77 6.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.458 -177.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -116.76 46.33 1.66 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -47.52 -66.46 0.4 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.876 -171.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -79.48 122.91 27.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.219 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 80.8 t60 68.4 96.82 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.855 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.7 m80 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.248 -0.882 . . . . 0.0 109.761 176.663 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.9 172.78 0.18 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 172.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -85.37 151.65 23.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.752 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -122.84 -42.89 2.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.573 ' HB3' ' HA ' ' B' ' 9' ' ' ASP . 42.1 t -130.6 132.27 45.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.884 173.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -79.96 -21.24 43.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.055 0.455 . . . . 0.0 110.181 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.417 ' CD1' HD21 ' A' ' 32' ' ' LEU . 1.2 m-85 -90.75 -68.36 0.79 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.655 -175.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.434 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 47.9 t -143.82 103.26 4.03 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.202 176.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.573 ' HA ' ' HB3' ' B' ' 5' ' ' SER . 0.7 OUTLIER -62.14 -22.97 66.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.162 177.403 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.94 -50.0 22.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.181 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.459 ' O ' HG13 ' B' ' 15' ' ' ILE . 19.3 mt-30 -60.98 -40.28 92.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.83 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.653 ' O ' HG23 ' B' ' 16' ' ' VAL . 65.1 tp -58.63 -54.46 46.79 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.962 177.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 31.0 m -55.63 -39.87 71.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.024 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.71 95.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.944 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 11' ' ' GLN . 83.5 mt -62.76 -50.29 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.7 t -63.92 -38.19 81.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.15 0.5 . . . . 0.0 110.119 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.17 -49.79 72.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.053 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.429 ' O ' HG13 ' B' ' 22' ' ' VAL . 28.0 t70 -71.6 -27.97 63.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.374 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.583 ' HG3' ' SD ' ' A' ' 19' ' ' MET . 53.4 ttp -60.05 -41.73 92.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.244 0.545 . . . . 0.0 110.197 175.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 73.7 mt -67.33 -41.4 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.851 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.86 -48.36 82.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.701 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.662 HG11 HG11 ' A' ' 22' ' ' VAL . 23.4 m -66.81 -27.89 41.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 120.679 0.275 . . . . 0.0 110.989 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 57.4 tp -65.42 -51.65 58.79 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.791 173.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.02 -28.67 70.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.821 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' B' ' 22' ' ' VAL . 36.5 ttpt -63.3 -28.92 70.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.888 176.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -101.59 -19.53 15.43 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 64.03 81.39 0.21 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.68 0.613 . . . . 0.0 111.141 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.09 135.78 26.26 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.717 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.452 ' HD2' HD12 ' B' ' 32' ' ' LEU . 42.8 Cg_endo -69.14 166.05 28.15 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.183 1.922 . . . . 0.0 111.117 174.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.63 -33.74 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.508 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.668 ' O ' HG12 ' B' ' 35' ' ' ILE . 5.8 m-20 -59.61 -67.39 0.38 Allowed 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.933 0.397 . . . . 0.0 110.61 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.452 HD12 ' HD2' ' B' ' 29' ' ' PRO . 95.5 mt -58.15 -34.68 70.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.581 -177.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.4 t -62.8 -37.58 87.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.398 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.2 mt -77.27 -34.03 55.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.692 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.668 HG12 ' O ' ' B' ' 31' ' ' ASP . 25.8 mm -64.11 -45.81 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.094 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -61.66 -42.94 99.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.542 176.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.551 HD11 ' HG ' ' A' ' 37' ' ' LEU . 42.8 tp -65.37 -39.29 92.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.548 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.31 -47.34 90.35 Favored Glycine 0 C--O 1.236 0.231 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.285 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -61.92 -42.93 99.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.961 0.41 . . . . 0.0 110.194 176.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.452 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 27.4 ttt -62.08 -51.91 66.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.143 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.73 -51.47 65.52 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.467 ' OG ' HD22 ' A' ' 65' ' ' LEU . 17.1 m -63.84 -45.55 89.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.244 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -62.57 -39.56 94.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.453 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 40' ' ' MET . 56.3 mt -67.44 -47.07 71.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.835 0.35 . . . . 0.0 111.117 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.03 -25.58 68.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.305 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 17.0 p -97.07 12.97 30.73 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.581 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 23.7 m -133.68 -50.72 0.85 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.837 0.351 . . . . 0.0 111.842 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.5 m -80.62 -35.42 34.06 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -171.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.541 HG23 ' HB3' ' B' ' 54' ' ' CYS . 4.8 m -117.63 162.12 30.38 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -174.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 10.6 Cg_endo -53.9 127.18 24.54 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 123.552 2.835 . . . . 0.0 113.194 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -54.78 -54.5 41.3 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.568 -174.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 12.7 t -69.84 -10.74 59.56 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -108.72 -35.65 6.36 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.395 -175.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . 0.541 ' HB3' HG23 ' B' ' 49' ' ' VAL . 27.2 p -63.05 -31.28 72.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.702 0.287 . . . . 0.0 110.727 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.46 -44.12 89.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.452 176.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.88 -43.73 74.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.567 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.42 -37.62 86.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.781 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.54 81.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.199 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.563 HE21 HG13 ' A' ' 66' ' ' ILE . 40.9 mm-40 -61.25 -48.68 80.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.072 176.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.64 75.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.697 0.284 . . . . 0.0 111.314 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -64.93 -41.21 95.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.457 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.617 ' O ' HG12 ' B' ' 66' ' ' ILE . 37.8 t -62.44 -49.2 76.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.293 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.42 ' N ' HD22 ' B' ' 63' ' ' ASN . 0.9 OUTLIER -61.43 -34.36 75.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.488 178.755 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 13.8 t -64.23 -40.25 95.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.057 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.78 -38.18 90.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.304 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.617 HG12 ' O ' ' B' ' 62' ' ' SER . 21.9 mm -61.5 -43.58 97.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.446 ' HA ' ' HE3' ' B' ' 70' ' ' LYS . 54.9 t30 -60.97 -38.93 87.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.436 178.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.27 -52.41 64.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.803 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.76 -46.47 96.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' B' ' 67' ' ' ASN . 25.5 ttpp -54.36 -54.01 46.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.115 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 5.4 m -81.41 -1.15 44.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.553 -174.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -80.03 -38.06 32.74 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 169.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.02 -43.88 28.15 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 172.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.43 ' HA ' ' CD2' ' B' ' 76' ' ' HIS . 12.2 mm-40 -85.05 43.48 1.01 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.683 0.754 . . . . 0.0 110.211 175.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -81.91 47.28 1.08 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.644 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' B' ' 74' ' ' GLU . 27.4 m-70 -101.6 148.86 24.72 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -177.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.14 75.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.522 0.201 . . . . 0.0 111.307 -177.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -113.82 92.52 4.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.028 0.442 . . . . 0.0 110.514 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.18 -32.17 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -176.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 72.9 t60 . . . . . 0 C--O 1.247 0.921 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.101 174.661 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.77 163.62 20.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.42 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -83.51 169.56 15.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.728 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -72.79 118.97 16.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.393 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -68.88 145.33 53.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.422 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -80.31 30.06 0.29 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 -176.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 58.06 48.54 12.95 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.227 0.537 . . . . 0.0 109.781 -171.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.5 m -62.28 125.83 25.24 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.94 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -60.92 -18.93 59.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.587 172.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.45 -38.66 29.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.951 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.68 -45.47 68.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.939 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.683 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.2 tp -60.53 -56.51 20.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.758 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.3 m -55.58 -36.38 66.81 Favored 'General case' 0 C--N 1.332 -0.172 0 O-C-N 123.269 0.356 . . . . 0.0 111.276 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.51 98.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 110.78 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -73.33 -44.51 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.234 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.8 t -64.65 -42.74 95.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.986 0.422 . . . . 0.0 110.485 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -70.62 -27.74 64.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.628 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.665 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.3 t0 -66.36 -47.93 71.84 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 177.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.9 mmt -58.55 -33.39 69.85 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.3 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 16' ' ' VAL . 71.8 mt -61.21 -44.53 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.108 0.48 . . . . 0.0 109.844 175.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.89 -33.11 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.197 177.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 18' ' ' ASP . 68.7 t -61.84 -40.26 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.298 175.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.03 -41.23 91.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.256 175.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -73.3 -17.53 61.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.94 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -76.08 -13.95 60.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.358 0.599 . . . . 0.0 110.289 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -122.69 -30.32 3.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.927 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 61.98 75.0 0.42 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.987 -178.545 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.57 139.22 20.44 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.485 ' HG2' ' OD1' ' A' ' 31' ' ' ASP . 59.0 Cg_endo -74.29 39.2 0.52 Allowed 'Trans proline' 0 CA--C 1.535 0.575 0 C-N-CA 123.232 2.621 . . . . 0.0 114.405 -172.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.6 t 75.12 -52.76 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 123.467 0.707 . . . . 0.0 112.136 175.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.492 ' O ' HG13 ' A' ' 35' ' ' ILE . 19.5 p-10 -64.78 -50.6 66.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.758 0.314 . . . . 0.0 110.268 -177.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.0 tp -64.11 -31.79 73.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.488 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -64.44 -42.34 96.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.382 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.1 mt -72.75 -23.88 60.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.42 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 31' ' ' ASP . 71.1 mt -68.61 -45.33 81.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 0.0 110.354 175.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -59.39 -47.61 84.79 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.279 0.562 . . . . 0.0 110.544 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.78 -21.29 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.679 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.43 -47.56 34.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.209 -0.52 . . . . 0.0 112.08 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.55 -34.74 76.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.107 0.479 . . . . 0.0 110.063 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.3 ttt -69.46 -48.39 60.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.885 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.91 63.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.6 p -62.2 -40.86 97.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.088 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -58.04 -49.41 76.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.735 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.651 HD13 HG13 ' B' ' 30' ' ' VAL . 68.1 mt -69.02 -42.22 76.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.284 -177.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 86.0 mt -66.12 -21.09 66.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.526 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.5 p -100.53 -4.53 28.48 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.608 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -117.64 -41.67 2.92 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -176.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 m -89.34 -62.72 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.703 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 32.8 m -74.07 164.11 63.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 C-N-CA 121.305 -0.158 . . . . 0.0 111.012 -176.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.703 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 14.9 Cg_endo -57.57 115.61 2.63 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.675 2.25 . . . . 0.0 112.46 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.702 ' HB3' HD11 ' B' ' 73' ' ' LEU . 25.8 mp0 -58.14 -37.43 74.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.209 -178.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.582 HG23 ' HG2' ' A' ' 53' ' ' GLN . 11.3 t -73.28 -8.12 54.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.666 -177.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.791 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -124.07 9.67 8.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.348 -179.196 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.555 ' SG ' HG11 ' B' ' 69' ' ' VAL . 25.5 t -63.69 -54.93 27.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.361 -171.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.691 ' HB3' HG23 ' B' ' 66' ' ' ILE . 1.6 mp0 -62.79 -34.97 78.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.004 0.43 . . . . 0.0 110.478 -177.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.96 -51.07 61.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.568 HD13 ' HB3' ' A' ' 53' ' ' GLN . 10.8 mp -72.58 -38.45 67.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.464 -177.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.97 95.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.728 0.299 . . . . 0.0 110.403 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -62.73 -43.29 99.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.263 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.74 -48.72 80.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -65.83 -41.82 91.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.813 0.339 . . . . 0.0 110.232 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.596 ' O ' HG12 ' A' ' 66' ' ' ILE . 38.8 t -57.97 -53.26 60.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.392 178.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.456 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . 96.1 m-20 -63.44 -27.97 69.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.385 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 m -63.54 -37.42 87.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.127 0.489 . . . . 0.0 110.112 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 69' ' ' VAL . 85.8 mt -74.93 -34.24 62.07 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.207 175.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.596 HG12 ' O ' ' A' ' 62' ' ' SER . 42.8 mm -59.62 -41.8 86.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.19 0.519 . . . . 0.0 109.741 174.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -65.71 -32.32 73.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.531 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.78 -39.37 84.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.069 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 65' ' ' LEU . 98.0 t -60.1 -43.78 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.998 173.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.73 -32.63 70.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.32 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 26.3 m -68.45 -27.46 66.19 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.596 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -74.37 -25.59 59.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.023 0.439 . . . . 0.0 110.499 173.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mp -81.71 -12.58 58.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.946 173.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -82.89 105.67 14.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 171.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -67.17 -39.17 86.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.221 -173.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -138.61 -77.52 0.36 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.079 172.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 46.66 67.43 0.78 Allowed 'General case' 0 CA--C 1.529 0.145 0 O-C-N 124.004 0.815 . . . . 0.0 110.244 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -67.36 94.4 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.271 -169.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -116.53 63.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.477 0.656 . . . . 0.0 110.388 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.1 t60 . . . . . 0 C--O 1.247 0.937 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.805 179.576 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.51 -84.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.666 -176.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -132.92 160.36 37.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.112 0.482 . . . . 0.0 111.395 -174.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -132.55 115.74 15.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.501 174.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -84.57 132.81 34.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.163 0.506 . . . . 0.0 111.136 -175.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' B' ' 7' ' ' TYR . 15.6 ptmt -131.08 29.7 4.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.182 175.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.479 ' HB2' ' O ' ' B' ' 6' ' ' LYS . 18.2 m-85 76.35 90.89 0.07 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.759 -170.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.481 ' HB2' ' CB ' ' B' ' 11' ' ' GLN . 18.3 m -98.66 123.26 42.75 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -65.74 -16.92 64.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.332 0.587 . . . . 0.0 109.715 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.31 -35.74 23.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.793 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.481 ' CB ' ' HB2' ' B' ' 8' ' ' SER . 64.6 tt0 -72.79 -43.45 62.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.73 177.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.632 ' O ' HG23 ' B' ' 16' ' ' VAL . 64.9 tp -58.42 -54.37 47.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.512 178.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 21.8 p -55.6 -42.74 75.29 Favored 'General case' 0 C--N 1.333 -0.152 0 O-C-N 123.304 0.377 . . . . 0.0 111.005 -177.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.14 -41.18 78.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.951 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 11' ' ' GLN . 74.0 mt -68.43 -46.83 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.134 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.632 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.6 t -63.59 -42.82 97.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 121.131 0.491 . . . . 0.0 109.771 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -69.66 -19.55 63.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.417 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.801 ' O ' HG23 ' B' ' 22' ' ' VAL . 34.4 t70 -74.14 -48.5 28.97 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 26.0 mmt -56.9 -43.25 81.16 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.724 0.64 . . . . 0.0 110.476 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.57 -41.48 90.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.27 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.587 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -63.58 -40.79 97.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.428 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.801 HG23 ' O ' ' B' ' 18' ' ' ASP . 25.2 t -58.19 -42.11 82.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.495 177.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.98 -32.19 71.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.57 -23.29 53.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.704 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 71.7 mmtt -75.02 -52.06 12.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.429 . . . . 0.0 110.386 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -89.5 -22.19 22.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.815 -175.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm 65.49 90.14 0.09 Allowed 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.836 0.71 . . . . 0.0 110.819 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.87 124.24 18.58 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.039 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.39 162.41 42.46 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.372 2.048 . . . . 0.0 111.946 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.651 HG13 HD13 ' A' ' 44' ' ' LEU . 61.8 t -51.14 -34.13 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.392 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.37 -69.01 0.16 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.263 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.421 HD23 HD12 ' B' ' 35' ' ' ILE . 68.6 mt -64.22 -34.77 78.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.763 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 46.4 t -64.81 -34.42 78.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.606 0.241 . . . . 0.0 110.657 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 19.0 tp -69.93 -39.32 76.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.087 0.47 . . . . 0.0 109.913 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.421 HD12 HD23 ' B' ' 32' ' ' LEU . 57.4 mt -62.54 -40.84 89.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.418 176.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.492 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -62.57 -41.78 99.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.714 176.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 51.6 tp -63.12 -40.09 96.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.42 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.71 98.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.321 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -62.23 -44.41 96.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.474 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 49.4 ttm -61.04 -48.3 82.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.777 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.53 -43.82 72.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.711 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 16.8 m -60.78 -49.31 77.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.461 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.29 -43.03 92.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.978 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 40' ' ' MET . 61.0 mt -69.33 -40.3 77.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.303 -177.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.492 ' HA ' HG22 ' B' ' 49' ' ' VAL . 96.4 mt -76.19 -13.48 60.18 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.652 -177.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 22.3 p -105.44 -0.35 26.09 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.567 -0.453 . . . . 0.0 112.062 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 39.2 m -141.71 -37.52 0.41 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -174.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.7 m -92.83 -30.68 15.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.061 -0.399 . . . . 0.0 111.786 -169.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' B' ' 45' ' ' LEU . 35.4 m -106.28 154.65 39.6 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.748 -0.206 . . . . 0.0 110.544 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.619 ' HB2' ' HG2' ' B' ' 53' ' ' GLN . 31.4 Cg_exo -59.44 107.89 0.41 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.498 2.132 . . . . 0.0 111.476 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.555 ' HA ' ' HB2' ' B' ' 54' ' ' CYS . 21.1 pt20 -60.0 -33.47 72.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -172.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -60.4 -30.01 69.33 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.94 0.4 . . . . 0.0 111.413 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.619 ' HG2' ' HB2' ' B' ' 50' ' ' PRO . 19.8 pt20 -122.36 18.92 10.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.057 0.456 . . . . 0.0 110.137 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . 0.555 ' HB2' ' HA ' ' B' ' 51' ' ' GLN . 49.4 t -59.69 -39.45 84.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.872 -177.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.03 -39.94 79.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.783 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.07 92.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 57' ' ' LEU . 4.2 mm? -69.17 -44.94 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.723 178.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.83 -46.0 83.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.555 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.555 ' NE2' HG13 ' A' ' 66' ' ' ILE . 73.1 mm-40 -64.12 -34.94 79.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.449 0.166 . . . . 0.0 110.856 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.57 -49.45 76.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.927 0.394 . . . . 0.0 110.496 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.407 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 30.2 t80 -64.16 -40.8 96.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.989 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.61 ' O ' HG12 ' B' ' 66' ' ' ILE . 23.0 t -59.47 -58.92 6.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.731 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -58.97 -34.66 72.06 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.874 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -67.02 -32.4 73.59 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.646 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 87.4 mt -75.54 -39.23 58.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.144 177.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.691 HG23 ' HB3' ' A' ' 55' ' ' GLU . 39.2 mm -55.99 -48.48 78.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 121.01 0.434 . . . . 0.0 110.597 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -65.12 -44.11 89.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.871 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.35 -48.69 80.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.809 0.337 . . . . 0.0 111.267 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.555 HG11 ' SG ' ' A' ' 54' ' ' CYS . 68.9 t -63.24 -46.18 96.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' B' ' 70' ' ' LYS . 23.5 ttmm -61.74 -34.55 76.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.771 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 56.4 m -71.13 -27.74 63.79 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.929 0.395 . . . . 0.0 110.88 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -75.04 -36.05 61.87 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.682 0.277 . . . . 0.0 110.395 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 51' ' ' GLN . 4.3 mm? -69.84 -39.7 76.28 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 172.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 67.54 -93.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.906 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 54.74 64.19 1.89 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 -173.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.43 ' CD2' ' H ' ' B' ' 76' ' ' HIS . 2.3 p80 -61.75 104.02 0.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.176 176.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -80.54 59.74 3.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.961 -176.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -141.88 160.85 39.36 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.301 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.22 19.65 1.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.257 0.551 . . . . 0.0 110.714 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.4 t60 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.194 -0.907 . . . . 0.0 108.774 174.268 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.8 mtt . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.756 0.312 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.4 152.85 22.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.226 -177.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -80.21 99.82 8.0 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -116.69 -18.28 10.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.232 -177.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 m -128.12 115.74 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.356 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 39.9 tptt -100.19 10.91 40.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.209 0.528 . . . . 0.0 110.329 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.837 ' HE1' ' HG2' ' B' ' 29' ' ' PRO . 18.0 m-85 60.33 72.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.378 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.559 ' HB2' ' HG2' ' A' ' 11' ' ' GLN . 15.8 m -83.99 137.3 33.68 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.69 175.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -61.46 -25.01 66.96 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 175.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.35 -37.7 60.52 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.55 177.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.559 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 15.7 mm100 -67.12 -42.11 85.06 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.554 176.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 16' ' ' VAL . 43.7 tp -57.57 -53.93 52.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.345 176.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -51.03 -47.57 61.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.48 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.61 87.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.321 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.492 ' O ' ' HG2' ' A' ' 19' ' ' MET . 73.8 mt -67.99 -45.37 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.799 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.0 t -65.92 -38.65 82.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.9 0.381 . . . . 0.0 110.018 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.419 HD22 ' HA ' ' A' ' 17' ' ' ASN . 8.6 m120 -62.26 -39.21 92.15 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.538 176.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.735 ' O ' HG23 ' A' ' 22' ' ' VAL . 30.9 t70 -62.81 -50.15 72.12 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 14.4 mmt -51.75 -46.01 63.91 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.432 0.458 . . . . 0.0 111.118 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 16' ' ' VAL . 76.9 mt -62.35 -44.6 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.42 -40.53 85.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.085 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 18' ' ' ASP . 59.2 t -58.13 -48.39 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.174 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.0 tp -64.39 -44.15 92.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.488 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.67 -50.95 66.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.071 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -82.56 -8.46 59.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.985 -171.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -93.0 -28.9 16.12 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 tttm 54.73 85.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.406 -1.27 . . . . 0.0 111.881 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.47 130.27 22.96 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.411 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.52 160.52 42.6 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.221 1.947 . . . . 0.0 111.223 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 52.1 t -51.4 -30.63 10.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 123.683 0.614 . . . . 0.0 111.826 -175.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.493 ' O ' HG13 ' A' ' 35' ' ' ILE . 20.2 m-20 -68.54 -55.56 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.248 0.546 . . . . 0.0 110.375 -178.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.01 -32.06 68.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.461 -173.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.405 ' O ' HD23 ' A' ' 37' ' ' LEU . 25.4 p -63.93 -41.57 97.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 110.305 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 88.8 mt -66.42 -39.17 88.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.872 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 31' ' ' ASP . 44.1 mt -70.35 -39.05 76.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.803 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.469 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -61.1 -49.73 76.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.768 0.318 . . . . 0.0 110.309 176.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 33' ' ' SER . 4.1 mm? -59.26 -42.57 91.5 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.27 175.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.94 -55.45 27.87 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.834 -0.621 . . . . 0.0 113.049 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -61.57 -42.34 98.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.844 0.355 . . . . 0.0 110.765 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.6 tpt -66.26 -44.65 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.439 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.46 86.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.607 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.7 m -60.17 -47.98 83.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.956 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -58.08 -42.86 86.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.809 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.2 mt -65.23 -50.04 67.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.89 -22.15 65.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.853 0.358 . . . . 0.0 111.256 -177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 p -101.2 13.79 34.0 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.78 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.4 m -136.55 -50.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.8 p -94.98 -39.64 10.08 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -167.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.6 m -80.6 152.35 72.51 Favored Pre-proline 0 C--N 1.325 -0.497 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.15 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.495 ' HG2' ' HB2' ' A' ' 53' ' ' GLN . 6.3 Cg_endo -48.77 127.79 17.33 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.416 2.744 . . . . 0.0 111.79 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -64.58 -30.71 71.74 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -172.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.5 m -75.63 -20.23 58.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.375 0.607 . . . . 0.0 110.523 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.499 ' HB3' HD13 ' A' ' 57' ' ' LEU . 10.3 mm100 -112.26 13.32 20.41 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -176.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 44.0 t -55.2 -53.68 52.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.62 -173.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -82.3 -27.16 32.48 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.573 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.19 -46.96 86.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.378 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' A' ' 53' ' ' GLN . 10.2 mp -73.75 -29.54 62.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.654 177.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.64 75.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.01 0.434 . . . . 0.0 110.457 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.73 -30.62 68.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 178.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.72 73.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.503 176.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.4 ' O ' HD23 ' A' ' 65' ' ' LEU . 92.2 t80 -59.73 -40.96 89.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.084 0.469 . . . . 0.0 110.146 176.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.613 ' O ' HG12 ' A' ' 66' ' ' ILE . 49.4 m -59.67 -60.44 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.27 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -64.46 -35.19 80.13 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.5 p -66.62 -36.49 82.72 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.646 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 61' ' ' PHE . 3.6 mm? -68.54 -37.49 80.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.717 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.613 HG12 ' O ' ' A' ' 62' ' ' SER . 16.0 mm -58.98 -46.77 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -61.94 -45.43 93.7 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.879 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.91 79.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.328 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.9 t -63.82 -43.13 97.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.975 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.36 -36.67 84.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.069 0.461 . . . . 0.0 110.96 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.3 m -70.32 -32.36 70.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.971 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HD2' HG21 ' B' ' 46' ' ' THR . 89.9 mtt180 -80.54 -23.62 39.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.97 0.414 . . . . 0.0 110.604 178.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.7 tp -69.89 -40.57 75.58 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 172.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -90.97 -166.09 1.5 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.092 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 52.94 74.89 0.27 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.639 0.587 . . . . 0.0 111.152 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -92.04 125.12 36.6 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -75.92 87.72 2.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.867 -168.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -140.59 40.85 1.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.844 0.83 . . . . 0.0 108.963 172.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -99.18 157.4 16.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.685 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.336 -0.84 . . . . 0.0 109.709 177.406 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.671 ' HB1' ' HB2' ' B' ' 5' ' ' SER . . . -78.15 87.41 4.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.225 0.536 . . . . 0.0 111.283 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -101.17 -30.0 11.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -79.39 -33.92 42.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.801 174.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.671 ' HB2' ' HB1' ' B' ' 2' ' ' ALA . 13.4 m -89.17 86.63 6.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.743 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -121.21 26.8 8.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 62.86 84.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.552 0.532 . . . . 0.0 110.609 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.11 112.15 18.2 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.26 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.25 -19.95 56.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.545 176.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.46 -30.53 33.38 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.67 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -80.39 -29.8 37.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.41 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.7 ' O ' HG23 ' B' ' 16' ' ' VAL . 42.5 tp -63.79 -55.55 22.23 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 174.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 3.0 p -55.66 -38.4 69.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.352 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.69 -30.03 69.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.601 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.62 HG22 ' O ' ' B' ' 12' ' ' LEU . 6.5 tp -82.72 -34.0 11.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.542 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.7 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.4 t -74.65 -40.47 47.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -68.22 -25.8 65.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.208 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.732 ' O ' HG23 ' B' ' 22' ' ' VAL . 9.5 t70 -64.72 -52.27 58.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 174.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 65.5 mtt -56.37 -41.22 75.83 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.269 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 16' ' ' VAL . 73.3 mt -56.92 -47.59 82.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.129 0.49 . . . . 0.0 110.157 176.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -67.35 -36.92 82.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.764 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 18' ' ' ASP . 42.0 t -60.13 -42.51 90.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.204 0.526 . . . . 0.0 110.177 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.16 -46.36 89.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.632 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -65.01 -26.78 68.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.24 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 64.7 mttp -73.91 -14.69 61.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.959 0.409 . . . . 0.0 110.819 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -106.95 -30.5 8.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.408 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 15.7 ttpp 57.5 37.67 27.79 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 110.217 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.462 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -73.28 143.67 83.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.814 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.837 ' HG2' ' HE1' ' A' ' 7' ' ' TYR . 11.4 Cg_exo -68.89 154.33 71.15 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.599 2.199 . . . . 0.0 110.86 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.6 p -61.99 -29.0 45.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.683 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.605 ' O ' HG13 ' B' ' 35' ' ' ILE . 17.4 m-20 -60.4 -63.45 1.29 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.314 0.578 . . . . 0.0 109.735 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 19.3 tp -63.81 -36.42 83.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.673 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.0 t -59.37 -48.94 79.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.013 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 58.6 mt -71.11 -18.54 62.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.58 -177.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.605 HG13 ' O ' ' B' ' 31' ' ' ASP . 62.7 mt -75.69 -45.78 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.434 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -62.17 -52.92 61.87 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.619 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.85 -27.48 67.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.785 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.88 -48.39 61.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.012 176.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -64.46 -33.14 75.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.749 0.309 . . . . 0.0 110.861 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -71.69 -46.48 58.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.44 -52.3 65.16 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.2 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.2 p -61.73 -45.12 95.32 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.69 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -53.76 -54.28 40.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.764 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.72 -40.63 97.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.556 -177.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.416 ' HB3' ' SG ' ' B' ' 54' ' ' CYS . 88.4 mt -69.61 -16.65 63.43 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.714 -177.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.475 HG21 ' HD2' ' A' ' 72' ' ' ARG . 6.9 p -112.87 12.55 19.48 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.718 176.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 25.6 m -130.48 -43.72 1.13 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.392 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.5 m -86.07 -44.08 12.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.546 0.213 . . . . 0.0 111.39 -173.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.408 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 27.3 m -99.38 158.76 31.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.971 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 33.7 Cg_endo -64.69 119.1 6.05 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.667 2.244 . . . . 0.0 111.461 175.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -55.35 -38.88 69.34 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 38.6 m -62.79 -39.45 94.28 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 111.228 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -93.03 -6.12 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.341 0.591 . . . . 0.0 110.417 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' B' ' 45' ' ' LEU . 36.3 t -63.1 -30.35 71.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.52 -175.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -59.64 -49.31 78.23 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.588 ' HA ' HE21 ' B' ' 59' ' ' GLN . . . -65.27 -38.38 90.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.505 178.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -51.34 70.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.582 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.5 -35.51 80.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.375 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.588 HE21 ' HA ' ' B' ' 56' ' ' ALA . 20.8 mt-30 -63.92 -40.43 96.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.826 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.28 -41.91 80.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.93 0.395 . . . . 0.0 110.355 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -59.13 -52.81 64.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.761 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.646 ' O ' HG12 ' B' ' 66' ' ' ILE . 7.9 p -60.36 -52.2 66.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.93 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -55.52 -43.94 76.18 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 24.2 m -66.85 -33.66 76.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.985 0.421 . . . . 0.0 110.054 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 30.0 tp -64.76 -47.53 77.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.339 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.646 HG12 ' O ' ' B' ' 62' ' ' SER . 9.8 mm -60.52 -42.94 93.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 121.437 0.637 . . . . 0.0 109.722 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -63.81 -40.6 97.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.091 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.72 99.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.843 0.354 . . . . 0.0 110.799 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.68 -49.71 83.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.202 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -56.71 -34.79 67.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.53 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 54.3 m -70.0 -37.37 75.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.116 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -77.34 -29.94 53.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.956 0.408 . . . . 0.0 110.306 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.34 -50.79 20.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.601 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' B' ' 75' ' ' HIS . 0.6 OUTLIER 66.46 172.99 0.24 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.557 0.535 . . . . 0.0 110.599 178.06 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.443 ' H ' ' CD ' ' B' ' 74' ' ' GLU . 14.2 p80 -158.57 -20.64 0.08 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -105.21 66.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.47 6.88 21.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.461 -170.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -79.36 111.6 15.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -102.63 -169.5 1.67 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.167 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.852 -0.594 . . . . 0.0 110.3 -179.474 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.84 154.58 25.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.891 0.376 . . . . 0.0 110.843 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -64.09 168.01 5.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.28 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 5' ' ' SER . 17.7 t-160 -105.87 14.03 28.64 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 175.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 4' ' ' HIS . 69.6 m 73.29 113.61 0.06 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.072 -178.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -122.6 80.93 1.79 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 74.02 83.22 0.11 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.095 -1.412 . . . . 0.0 110.715 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.427 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 45.1 t -97.63 120.85 38.76 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.465 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -63.8 -21.51 66.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.495 0.664 . . . . 0.0 109.272 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.65 -40.79 40.6 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.01 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.538 ' O ' HG13 ' A' ' 15' ' ' ILE . 77.8 mt-30 -72.53 -27.46 62.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.15 176.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 tp -56.26 -59.01 5.56 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.723 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 m -55.54 -39.44 70.58 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 123.411 0.444 . . . . 0.0 110.914 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.13 -37.82 78.16 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.214 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 11' ' ' GLN . 92.4 mt -68.21 -51.23 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.808 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -39.1 84.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.198 -177.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -62.8 -47.28 84.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.386 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.579 ' O ' HG23 ' A' ' 22' ' ' VAL . 28.6 t70 -59.64 -51.24 70.66 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.391 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.8 ttm -53.9 -42.97 69.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 86.4 mt -70.98 -47.07 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.129 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.12 82.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 111.105 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 18' ' ' ASP . 59.1 t -61.93 -40.13 86.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.375 0.607 . . . . 0.0 110.426 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.01 -45.08 95.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.626 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.45 -35.07 77.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.446 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -66.25 -40.61 90.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.761 0.315 . . . . 0.0 110.843 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -72.78 -24.66 60.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 174.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' A' ' 27' ' ' LYS . 17.5 ttmm 70.35 83.08 0.15 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.534 175.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.449 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -120.27 122.99 28.48 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.569 173.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.634 ' HD2' ' HB3' ' A' ' 32' ' ' LEU . 12.7 Cg_exo -66.78 164.35 29.74 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.538 2.159 . . . . 0.0 111.646 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 72.4 t -55.49 -40.43 58.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 111.124 -178.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 35' ' ' ILE . 1.6 p-10 -63.17 -55.09 28.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.347 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.634 ' HB3' ' HD2' ' A' ' 29' ' ' PRO . 61.9 tp -61.09 -42.7 99.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.003 0.43 . . . . 0.0 111.078 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.8 t -63.73 -35.34 80.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 1.3 tt -65.1 -36.56 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.975 0.417 . . . . 0.0 110.045 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 31' ' ' ASP . 51.6 mt -64.77 -46.27 92.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.55 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -64.14 -50.15 69.35 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.79 178.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.408 HD11 HD11 ' B' ' 37' ' ' LEU . 32.7 tp -63.23 -39.49 94.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.719 -178.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.52 -46.63 93.38 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.866 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -61.74 -46.22 90.55 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.6 ttt -59.51 -40.67 87.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.757 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.66 84.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.194 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.7 p -67.13 -38.54 85.74 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.842 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -61.05 -43.22 99.21 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.039 0.447 . . . . 0.0 110.346 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.3 tp -56.61 -52.65 64.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.198 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.432 ' HA ' HG22 ' A' ' 49' ' ' VAL . 91.2 mt -63.04 -32.08 73.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.339 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.0 p -93.28 15.74 14.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.576 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.9 m -140.93 -46.99 0.4 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.51 ' HB3' HG11 ' B' ' 30' ' ' VAL . 34.1 m -88.85 -54.54 4.09 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -171.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 45' ' ' LEU . 34.0 m -79.31 150.28 73.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.437 -174.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.21 131.87 41.42 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.17 2.58 . . . . 0.0 112.258 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -70.17 -26.06 63.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.73 -171.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.8 m -68.62 -24.29 64.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.247 0.546 . . . . 0.0 111.558 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.445 HE21 HD11 ' A' ' 57' ' ' LEU . 15.5 pt20 -130.09 26.76 5.17 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -175.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 42.7 t -60.68 -53.49 56.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.27 -175.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.33 -25.34 39.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.978 0.418 . . . . 0.0 110.118 -178.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.68 97.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.161 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.445 HD11 HE21 ' A' ' 53' ' ' GLN . 7.4 mp -74.01 -33.46 63.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.131 177.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.08 94.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.198 0.523 . . . . 0.0 110.33 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.93 -35.15 76.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.006 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.52 81.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.625 176.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -57.79 -48.92 78.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.67 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.662 ' O ' HG12 ' A' ' 66' ' ' ILE . 3.0 p -63.33 -45.67 90.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.471 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -63.14 -40.84 98.74 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.07 0.462 . . . . 0.0 111.123 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 t -64.82 -35.53 81.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.279 0.561 . . . . 0.0 109.544 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.2 -38.66 91.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.372 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.662 HG12 ' O ' ' A' ' 62' ' ' SER . 40.2 mm -56.35 -43.82 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 121.291 0.567 . . . . 0.0 109.936 176.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -66.67 -38.46 86.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.074 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.22 -46.07 85.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.45 -39.35 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.642 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 35.1 ttmt -56.76 -41.29 77.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.4 m -70.74 -33.5 70.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.708 0.289 . . . . 0.0 111.206 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -68.0 -38.22 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.191 0.519 . . . . 0.0 110.456 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.9 tp -77.89 -46.96 19.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.808 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -99.91 98.52 9.29 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.085 0.469 . . . . 0.0 110.941 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -103.16 128.04 50.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.37 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -90.33 28.36 1.46 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.612 0.72 . . . . 0.0 109.377 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.401 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 82.4 t60 -91.01 75.87 6.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.856 -176.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 77' ' ' HIS . 36.1 p-80 175.86 147.54 0.09 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.579 175.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -118.5 138.25 52.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.559 -176.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 . . . . . 0 C--O 1.244 0.79 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.905 176.696 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.745 0.307 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.63 -14.63 58.66 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.214 0.531 . . . . 0.0 110.397 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -79.71 101.47 8.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.072 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -114.41 0.26 14.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.09 0.471 . . . . 0.0 110.31 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.47 ' HB2' ' OE1' ' B' ' 11' ' ' GLN . 12.6 p -90.79 168.76 11.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.514 175.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -113.53 7.17 17.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 56.77 41.64 27.85 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.968 172.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.0 p -69.5 155.74 39.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.478 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -65.47 -24.23 67.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 174.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -36.95 73.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.059 172.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.47 ' OE1' ' HB2' ' B' ' 5' ' ' SER . 49.8 tt0 -69.52 -48.12 61.52 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.979 0.418 . . . . 0.0 110.095 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.604 ' O ' HG23 ' B' ' 16' ' ' VAL . 59.8 tp -57.46 -52.47 65.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.469 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 30.8 p -58.54 -38.98 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.453 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.63 84.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.768 0.318 . . . . 0.0 110.994 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.57 -46.67 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.604 HG23 ' O ' ' B' ' 12' ' ' LEU . 0.7 OUTLIER -67.33 -36.16 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.157 0.503 . . . . 0.0 109.915 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -63.57 -32.65 74.18 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.707 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.784 ' O ' HG23 ' B' ' 22' ' ' VAL . 27.0 t0 -70.08 -40.54 74.93 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.21 -40.38 89.93 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.721 176.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 16' ' ' VAL . 73.0 mt -61.68 -42.14 93.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.262 0.554 . . . . 0.0 110.021 175.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.25 -29.35 68.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.625 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.784 HG23 ' O ' ' B' ' 18' ' ' ASP . 60.0 t -65.66 -42.67 93.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.298 0.57 . . . . 0.0 109.629 176.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.26 -43.16 99.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.66 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -73.95 -23.93 59.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -57.97 -52.48 65.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.762 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -93.66 -18.56 22.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.506 -177.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 mttm 61.76 90.03 0.07 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.726 0.641 . . . . 0.0 110.97 -173.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.09 122.99 26.81 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.388 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.12 163.4 16.93 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.56 2.173 . . . . 0.0 111.321 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.57 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 26.0 m -61.68 -17.5 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.668 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.51 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.0 m-20 -76.44 -58.87 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.998 0.427 . . . . 0.0 110.117 175.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.46 -40.6 97.57 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.536 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -64.98 -35.1 80.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.566 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 20.3 tp -67.12 -35.72 80.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.286 -178.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.51 HG13 ' O ' ' B' ' 31' ' ' ASP . 32.7 mt -65.05 -44.2 95.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.418 178.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.54 86.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.52 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.408 HD11 HD11 ' A' ' 37' ' ' LEU . 54.3 tp -60.84 -45.72 93.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.522 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.31 -44.4 98.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.005 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -59.31 -48.35 81.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.402 . . . . 0.0 110.074 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.436 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 27.9 ttt -64.68 -46.65 81.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.033 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.57 -46.55 83.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.664 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.7 m -58.3 -49.36 77.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.594 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -43.64 95.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.714 -177.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' B' ' 40' ' ' MET . 68.9 mt -65.08 -47.41 77.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.853 0.359 . . . . 0.0 111.322 -178.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' B' ' 58' ' ' ALA . 95.7 mt -73.67 -13.69 61.03 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.628 -175.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 31.3 p -101.56 4.0 40.59 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.249 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.4 p -128.55 -47.69 1.29 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.678 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.7 m -76.1 -45.17 35.21 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -173.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.508 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 35.0 m -99.41 156.63 35.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.561 -178.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.508 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 18.9 Cg_endo -60.9 130.33 32.46 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.737 2.291 . . . . 0.0 112.74 -177.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -12.02 58.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.194 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 11.0 t -85.17 -12.71 52.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.115 0.483 . . . . 0.0 110.573 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 8.4 tp-100 -126.52 4.33 6.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.405 0.621 . . . . 0.0 109.726 -177.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 42.4 t -60.17 -56.51 20.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.945 -172.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.52 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.9 mp0 -59.59 -42.26 92.15 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.789 0.328 . . . . 0.0 110.555 -176.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.09 -35.23 69.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.646 -175.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 6.6 tp -73.79 -45.88 48.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.448 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.426 ' HB2' HD13 ' B' ' 45' ' ' LEU . . . -61.57 -42.33 98.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.614 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.53 -42.32 82.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.842 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.28 -46.08 91.08 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.313 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -61.29 -45.13 95.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 110.28 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.485 ' O ' HG12 ' B' ' 66' ' ' ILE . 20.1 m -64.65 -39.39 93.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.895 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.596 ' HA ' HG12 ' B' ' 66' ' ' ILE . 0.9 OUTLIER -67.03 -29.13 68.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.684 178.161 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.5 m -66.64 -36.07 81.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.962 0.41 . . . . 0.0 109.895 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.428 ' O ' HG23 ' B' ' 69' ' ' VAL . 9.6 mp -73.15 -27.5 61.7 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 175.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.596 HG12 ' HA ' ' B' ' 63' ' ' ASN . 52.1 mm -57.79 -46.24 87.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -61.27 -45.98 92.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.107 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.94 87.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.589 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 65' ' ' LEU . 54.6 t -56.41 -51.31 65.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 0.0 111.072 177.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -67.92 -27.0 66.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.022 0.439 . . . . 0.0 110.879 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 97.1 m -66.47 -32.76 74.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.023 0.44 . . . . 0.0 110.39 174.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -79.63 -36.54 37.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.061 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.76 -36.15 57.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.557 -177.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -98.14 112.31 24.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.716 0.293 . . . . 0.0 110.459 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -67.49 142.18 56.68 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -107.14 149.43 27.67 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.312 -171.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -67.49 108.83 2.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -58.48 112.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.066 -173.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -151.86 135.7 16.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.77 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.273 -0.87 . . . . 0.0 109.669 176.774 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 tpt . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.781 0.324 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 4' ' ' HIS . . . -78.05 148.98 34.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.656 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -78.22 23.77 0.27 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.433 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.409 ' H ' ' C ' ' A' ' 2' ' ' ALA . 31.7 m170 65.45 91.57 0.08 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.22 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -75.71 69.78 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.269 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -90.11 1.59 56.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.704 -176.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 61.7 87.22 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.614 0.571 . . . . 0.0 110.746 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 t -77.57 108.85 11.05 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.79 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -60.1 -17.81 42.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.148 0.499 . . . . 0.0 109.697 172.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.77 -48.18 17.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.688 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.42 -40.05 74.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.395 0.616 . . . . 0.0 109.744 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.585 HD11 ' HB ' ' B' ' 35' ' ' ILE . 26.8 tp -53.69 -59.54 4.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.693 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.845 ' HA ' HG12 ' A' ' 16' ' ' VAL . 2.9 m -75.75 -23.38 55.98 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.299 -171.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -37.37 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.481 HD13 ' HB2' ' B' ' 28' ' ' ALA . 53.6 mt -66.65 -47.01 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.207 176.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.845 HG12 ' HA ' ' A' ' 13' ' ' SER . 9.3 p -72.53 -29.38 30.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.758 -178.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -70.27 -30.63 67.71 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.144 -0.347 . . . . 0.0 110.11 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.736 ' O ' HG23 ' A' ' 22' ' ' VAL . 19.5 t70 -69.16 -43.75 73.63 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.5 ttm -55.23 -38.03 67.95 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.777 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 16' ' ' VAL . 73.1 mt -64.63 -41.13 91.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.144 175.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.95 94.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.244 177.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 18' ' ' ASP . 24.4 t -56.23 -41.3 69.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.273 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.45 -49.11 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.853 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -61.72 -41.9 98.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.524 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -63.66 -36.52 84.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.418 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -90.61 -14.34 32.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.103 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 60.23 56.85 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.729 0.643 . . . . 0.0 110.612 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.59 127.29 55.11 Favored Pre-proline 0 N--CA 1.451 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.069 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.5 160.95 47.77 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.311 2.007 . . . . 0.0 111.259 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -57.86 -30.82 39.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.875 0.369 . . . . 0.0 110.221 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.557 ' O ' HG13 ' A' ' 35' ' ' ILE . 1.4 m-20 -57.89 -65.62 0.61 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.553 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.6 -34.34 72.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.324 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 t -65.6 -33.14 75.21 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.471 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tt -75.44 -36.66 60.7 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 31' ' ' ASP . 53.2 mt -68.31 -40.09 81.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.65 0.262 . . . . 0.0 110.474 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.63 93.03 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 174.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.13 -47.28 85.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.435 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.99 -48.93 83.46 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.509 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -62.14 -42.96 99.76 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.653 0.263 . . . . 0.0 110.749 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.6 tpt -67.54 -52.15 42.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -176.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.51 -46.48 70.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 111.17 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.6 t -62.99 -56.76 14.24 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.618 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -58.91 -46.0 88.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.67 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.53 -52.76 64.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.306 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.7 mt -72.43 -10.23 59.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.212 -175.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.511 HG21 ' HB2' ' B' ' 72' ' ' ARG . 32.0 p -109.42 3.74 21.73 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 176.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.4 p -130.51 -34.29 1.59 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.4 m -102.91 27.37 7.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.083 0.468 . . . . 0.0 111.513 -175.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.18 157.44 43.64 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.374 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.66 -69.05 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.993 2.462 . . . . 0.0 112.628 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -175.08 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.517 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.6 m -63.95 -27.49 69.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.277 0.56 . . . . 0.0 111.068 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.813 ' HB3' HD13 ' A' ' 57' ' ' LEU . 85.9 mt-30 -75.19 -5.74 46.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.384 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.4 t -55.04 -56.17 22.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.106 0.479 . . . . 0.0 110.801 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -77.91 -37.06 48.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.386 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.84 -50.14 75.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.119 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.813 HD13 ' HB3' ' A' ' 53' ' ' GLN . 9.1 mp -68.09 -35.83 78.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.47 77.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.744 0.307 . . . . 0.0 110.759 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.457 ' HG2' HD12 ' B' ' 66' ' ' ILE . 94.0 mt-30 -65.51 -44.25 87.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.53 87.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.786 0.327 . . . . 0.0 111.167 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 91.3 t80 -60.96 -48.32 82.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.115 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.594 ' HB2' ' CB ' ' B' ' 62' ' ' SER . 13.6 p -65.89 -43.2 88.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.529 -176.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.455 ' HA ' HG12 ' A' ' 66' ' ' ILE . 26.8 m-80 -67.21 -32.25 73.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.716 0.293 . . . . 0.0 111.104 177.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.5 t -63.67 -37.54 87.74 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 90.7 mt -61.82 -44.19 97.34 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.088 175.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 62' ' ' SER . 18.8 mm -55.8 -47.43 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.228 0.537 . . . . 0.0 109.984 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.412 HD22 ' HA ' ' A' ' 67' ' ' ASN . 10.9 m120 -62.47 -43.35 99.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.128 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.45 -46.56 89.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.86 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.444 ' HA ' ' CG2' ' B' ' 46' ' ' THR . 85.6 t -61.26 -48.16 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.627 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -62.68 -37.41 86.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.988 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.7 m -63.2 -46.16 88.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.625 0.25 . . . . 0.0 111.246 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -70.28 -37.88 74.93 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.889 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.9 -36.7 84.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.992 0.425 . . . . 0.0 110.675 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -61.35 -43.98 97.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.138 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -65.34 -12.81 55.61 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -175.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -95.5 94.07 7.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -104.31 173.97 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.299 0.571 . . . . 0.0 111.91 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 80' ' ' HIS . 52.0 t-80 -157.09 102.35 1.96 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 174.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.79 73.48 7.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.108 0.48 . . . . 0.0 110.676 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 10.6 t-160 . . . . . 0 C--O 1.247 0.953 0 CA-C-N 114.85 -1.068 . . . . 0.0 108.558 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.53 -172.72 4.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -59.19 129.7 43.39 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -79.09 -26.44 42.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.377 -175.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 41.7 m -103.75 122.37 44.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 172.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -79.55 -9.02 59.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 56.62 36.79 28.16 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.161 0.288 . . . . 0.0 111.361 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 38.2 t -68.02 135.28 52.05 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 120.857 0.361 . . . . 0.0 111.141 -175.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.73 -26.52 65.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.228 171.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.46 -33.08 48.64 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.281 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -73.46 -39.27 65.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.265 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.654 ' O ' HG23 ' B' ' 16' ' ' VAL . 50.8 tp -61.84 -53.6 53.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.262 175.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 53.3 m -53.75 -36.11 61.97 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.364 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.87 81.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.716 0.293 . . . . 0.0 110.691 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 61.4 mt -64.62 -39.52 85.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.382 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.654 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.1 t -69.03 -34.81 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -66.76 -41.56 87.56 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.195 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.504 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.5 OUTLIER -54.63 -47.56 73.32 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.469 175.099 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.448 ' O ' ' HB2' ' B' ' 23' ' ' LEU . 52.0 ttm -54.92 -44.46 74.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.796 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.38 -44.17 77.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.067 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.506 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -64.26 -53.28 51.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.25 -178.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.521 HG11 HG21 ' A' ' 22' ' ' VAL . 43.3 t -63.13 -28.47 45.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-O 120.929 0.395 . . . . 0.0 110.32 -177.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' B' ' 19' ' ' MET . 18.8 tp -60.13 -47.26 86.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.121 174.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -73.99 -26.55 60.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.066 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 32.4 mmmt -66.84 -14.91 63.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 110.932 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -116.31 -9.47 11.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.026 0.441 . . . . 0.0 109.934 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.497 ' HA ' ' HD2' ' B' ' 27' ' ' LYS . 37.1 tptt 55.37 73.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.365 -177.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.481 ' HB2' HD13 ' A' ' 15' ' ' ILE . . . -97.55 123.99 50.19 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.257 177.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 15.6 Cg_exo -67.82 160.08 49.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.842 2.362 . . . . 0.0 111.542 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.14 -39.57 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 123.182 0.301 . . . . 0.0 111.808 -176.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.499 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.8 p-10 -67.23 -52.4 41.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.408 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.17 -36.64 74.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.673 0.273 . . . . 0.0 111.142 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.8 t -61.28 -40.37 93.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.093 0.473 . . . . 0.0 109.99 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 tt -64.26 -40.17 95.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.313 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.585 ' HB ' HD11 ' A' ' 12' ' ' LEU . 39.0 mt -72.53 -45.3 59.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.96 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.682 ' HB1' ' HB ' ' A' ' 16' ' ' VAL . . . -52.73 -49.68 64.93 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.685 0.279 . . . . 0.0 110.589 171.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 23.5 tp -59.79 -37.51 79.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.196 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.41 -49.92 62.57 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.387 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -59.02 -40.67 85.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.673 0.273 . . . . 0.0 110.316 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.91 -56.89 15.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.259 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.27 -47.07 79.31 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.46 -178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 26.4 m -57.14 -55.77 30.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.761 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -66.87 -28.6 68.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.073 -175.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.92 -54.1 39.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 0.0 110.805 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.53 -16.9 61.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.199 0.523 . . . . 0.0 112.035 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 69' ' ' VAL . 22.5 p -99.03 -1.82 38.76 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m -131.64 -40.86 1.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.266 -0.574 . . . . 0.0 112.442 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -85.02 -39.66 17.77 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -172.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 28.6 m -95.28 155.07 39.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.737 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -57.19 126.85 23.42 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.073 2.515 . . . . 0.0 112.492 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.593 ' HA ' ' SG ' ' B' ' 54' ' ' CYS . 32.9 mm-40 -76.0 -4.36 40.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.27 0.557 . . . . 0.0 111.218 -176.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . 0.515 HG23 ' HG3' ' B' ' 53' ' ' GLN . 9.9 t -77.95 -16.44 58.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.237 175.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.515 ' HG3' HG23 ' B' ' 52' ' ' THR . 79.1 mt-30 -135.86 6.7 3.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.343 -177.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . 0.593 ' SG ' ' HA ' ' B' ' 51' ' ' GLN . 19.8 p -64.19 -43.58 94.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.349 -175.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -65.99 -34.74 78.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.211 0.529 . . . . 0.0 110.127 -177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.81 -48.74 52.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.69 -37.08 86.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.238 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.89 85.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.933 0.396 . . . . 0.0 110.327 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -66.14 -39.0 89.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.179 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.44 -48.35 64.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.559 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.41 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 37.4 t80 -56.89 -46.42 81.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.861 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.594 ' CB ' ' HB2' ' A' ' 62' ' ' SER . 11.8 p -62.26 -55.34 29.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.426 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -60.14 -35.46 75.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.522 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 19.5 t -64.16 -41.17 97.26 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.484 ' O ' HG23 ' B' ' 69' ' ' VAL . 61.7 mt -67.03 -32.75 74.18 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.568 HG12 ' O ' ' B' ' 62' ' ' SER . 44.0 mm -59.78 -49.02 85.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.049 0.452 . . . . 0.0 110.054 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -67.57 -33.45 75.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.365 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.67 90.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.745 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 65' ' ' LEU . 55.3 t -58.16 -48.27 85.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 111.014 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -57.58 -41.16 80.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.698 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 25.8 m -72.35 -39.71 67.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.998 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.511 ' HB2' HG21 ' A' ' 46' ' ' THR . 26.8 mmt180 -57.99 -53.63 56.02 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.802 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.8 tp -64.76 -49.59 70.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.655 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -86.75 74.54 9.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.309 0.576 . . . . 0.0 110.947 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -123.52 140.78 52.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.691 174.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -90.37 13.96 14.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.513 0.673 . . . . 0.0 109.473 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -132.52 142.51 49.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.684 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -125.54 116.35 21.63 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.835 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -91.35 131.24 36.97 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.311 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.395 -0.812 . . . . 0.0 109.378 177.452 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.891 0.377 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.61 92.43 9.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.991 0.424 . . . . 0.0 110.608 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -89.31 70.15 8.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 63.6 23.62 13.65 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.917 -176.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 p -79.6 70.97 6.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.547 0.689 . . . . 0.0 110.481 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -112.04 -36.81 5.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.466 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -140.5 90.42 2.35 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.191 -173.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.6 m -128.12 132.64 48.95 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.471 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.29 -32.16 62.18 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.48 -35.98 65.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.863 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -71.24 -43.75 66.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.964 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.8 tp -61.92 -56.24 21.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.801 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.5 p -57.27 -36.27 70.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.469 -175.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.51 89.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.806 0.336 . . . . 0.0 110.762 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.46 -44.16 96.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.233 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.9 t -69.02 -37.35 77.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.312 . . . . 0.0 110.381 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -70.17 -29.58 66.5 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.994 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.578 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.2 m-20 -62.09 -47.13 86.0 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 173.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.5 mmt -53.92 -43.11 69.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 110.948 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.59 -47.68 82.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.847 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . -63.7 -53.52 50.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.294 -177.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 18' ' ' ASP . 61.8 t -56.59 -36.32 47.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.631 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 28' ' ' ALA . 59.2 tp -57.92 -50.3 73.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.826 176.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.36 -42.17 72.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.167 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 29.1 mtpp -62.77 -37.7 87.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.393 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -80.82 -9.48 59.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.217 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm 60.46 55.58 3.42 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.429 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.49 ' HB2' HD13 ' B' ' 15' ' ' ILE . . . -96.61 132.74 25.7 Favored Pre-proline 0 N--CA 1.45 -0.456 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 175.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.564 ' HD2' ' HB3' ' A' ' 32' ' ' LEU . 17.9 Cg_exo -66.85 154.21 75.34 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.496 2.131 . . . . 0.0 110.789 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 49.1 t -56.49 -38.39 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.048 0.451 . . . . 0.0 111.304 -175.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.437 ' O ' HG13 ' A' ' 35' ' ' ILE . 10.2 p-10 -76.8 -40.41 48.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.902 -175.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB3' ' HD2' ' A' ' 29' ' ' PRO . 38.1 tp -70.9 -32.93 70.04 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.8 t -63.75 -41.1 98.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.425 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 91.4 mt -61.35 -37.25 82.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.464 177.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 31' ' ' ASP . 62.4 mt -64.6 -44.29 96.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.745 176.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.01 -51.09 70.69 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.866 0.365 . . . . 0.0 110.21 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.7 tp -57.57 -42.29 82.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.44 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.86 -50.79 63.85 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.328 -0.463 . . . . 0.0 112.597 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -65.07 -36.84 85.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.482 0.182 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.8 ttt -68.47 -47.15 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.687 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.25 95.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.846 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.9 m -57.38 -45.58 84.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.92 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -58.2 -49.2 77.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.796 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.3 mt -70.24 -36.87 74.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.141 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 tp -74.02 -13.19 60.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.449 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.2 p -109.59 9.13 25.21 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.263 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.8 m -140.27 -45.51 0.42 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -174.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.7 m -99.52 -9.73 22.95 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -166.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.653 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 24.6 m -97.56 167.75 11.28 Favored Pre-proline 0 C--N 1.323 -0.582 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.574 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.653 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 12.4 Cg_endo -56.01 108.95 0.37 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.557 2.172 . . . . 0.0 111.209 174.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.452 ' HG3' HD21 ' B' ' 73' ' ' LEU . 3.8 tp-100 -68.0 -32.84 73.51 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.088 -169.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -81.35 -12.47 59.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.174 0.511 . . . . 0.0 111.168 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -122.87 17.88 10.17 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.576 ' HB2' HG11 ' B' ' 69' ' ' VAL . 5.5 p -53.96 -52.32 61.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.336 -173.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.68 -40.67 84.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.431 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.47 -44.99 77.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.967 0.413 . . . . 0.0 111.009 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.86 -34.25 71.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.242 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.49 81.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.641 0.258 . . . . 0.0 110.67 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -66.79 -35.81 80.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.019 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.99 85.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.003 0.43 . . . . 0.0 110.459 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.03 -45.17 93.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.949 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.699 ' O ' HG12 ' A' ' 66' ' ' ILE . 41.2 t -56.07 -59.51 4.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.539 177.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.05 -38.46 57.1 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.249 0.343 . . . . 0.0 111.717 -178.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 m -60.72 -45.84 92.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.738 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.515 HD12 HD12 ' B' ' 45' ' ' LEU . 4.3 mm? -72.92 -31.32 64.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.993 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.699 HG12 ' O ' ' A' ' 62' ' ' SER . 38.0 mm -63.69 -33.0 59.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -76.97 -25.91 53.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.08 -48.55 70.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 172.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.9 t -62.19 -39.6 84.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.863 174.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -53.62 -43.42 68.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.57 175.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.5 m -70.44 -26.5 63.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.202 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -35.93 65.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.5 mt -72.68 -24.92 61.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.599 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.0 126.8 30.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.99 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -157.13 20.28 0.3 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.962 -174.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -81.57 84.25 6.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.22 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -136.76 -37.07 0.68 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.208 0.528 . . . . 0.0 110.267 174.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -138.7 92.73 2.65 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -75.62 -51.18 13.4 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.847 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.4 m80 . . . . . 0 C--O 1.243 0.753 0 CA-C-O 118.508 -0.758 . . . . 0.0 109.024 174.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.92 0.391 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.6 -173.15 3.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.503 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -69.26 -59.8 2.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.075 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 42.9 t60 57.07 23.79 8.86 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.439 0.638 . . . . 0.0 111.175 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -121.78 101.08 7.35 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.243 0.544 . . . . 0.0 111.542 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -98.51 71.14 1.99 Allowed 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 66.6 47.61 1.59 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.497 -1.228 . . . . 0.0 110.237 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 41.8 t -59.17 122.55 14.1 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.778 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -68.26 -13.37 62.21 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.45 -36.19 15.57 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.775 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.427 ' O ' HG13 ' B' ' 15' ' ' ILE . 7.2 tp60 -70.73 -40.9 72.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.628 ' O ' HG23 ' B' ' 16' ' ' VAL . 54.6 tp -58.78 -59.08 6.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.621 178.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 45.7 p -54.13 -45.82 72.03 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 123.34 0.4 . . . . 0.0 111.553 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.95 71.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.49 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' A' ' 28' ' ' ALA . 81.1 mt -74.51 -49.4 31.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.835 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.628 HG23 ' O ' ' B' ' 12' ' ' LEU . 0.8 OUTLIER -66.67 -35.06 73.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.19 0.519 . . . . 0.0 109.84 -178.616 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.84 -43.17 99.5 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.945 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.763 ' O ' HG23 ' B' ' 22' ' ' VAL . 34.2 t70 -67.91 -43.16 79.89 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -177.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 61.4 mtt -54.27 -42.69 70.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.595 0.236 . . . . 0.0 111.377 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.83 -43.03 89.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.649 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.595 ' O ' ' HB2' ' B' ' 25' ' ' LYS . . . -62.54 -38.11 88.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.763 HG23 ' O ' ' B' ' 18' ' ' ASP . 44.7 t -67.66 -41.61 85.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.112 0.482 . . . . 0.0 109.962 177.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.3 tp -57.93 -56.52 20.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.731 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.471 ' HG3' ' HD2' ' B' ' 27' ' ' LYS . 35.8 tt0 -75.51 -8.47 56.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.979 0.419 . . . . 0.0 110.905 -177.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' B' ' 21' ' ' ALA . 33.7 ttmt -67.78 -29.15 68.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -99.73 -18.35 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.238 172.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.471 ' HD2' ' HG3' ' B' ' 24' ' ' GLU . 39.8 tptt 61.29 89.46 0.08 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.584 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -108.26 135.82 19.9 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.201 177.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' B' ' 32' ' ' LEU . 27.3 Cg_exo -62.06 158.94 36.51 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.584 2.189 . . . . 0.0 111.311 175.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 33.4 m -56.14 -29.45 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.343 . . . . 0.0 111.757 -178.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.42 ' O ' HG13 ' B' ' 35' ' ' ILE . 15.9 t70 -76.99 -52.51 9.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.731 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.566 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 35.7 tp -62.37 -40.23 95.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.014 0.435 . . . . 0.0 110.438 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -65.4 -32.31 73.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.518 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 13.7 tp -67.39 -34.04 76.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.003 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.42 HG13 ' O ' ' B' ' 31' ' ' ASP . 38.5 mt -69.24 -44.18 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.297 177.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.42 98.84 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.31 175.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.43 -45.01 96.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.132 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.92 -51.77 56.52 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.241 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -60.47 -38.05 82.97 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.759 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 13.7 tpt -66.97 -48.1 69.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.2 87.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.748 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 27.1 t -59.37 -44.34 92.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.221 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -58.54 -51.79 68.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.587 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.51 -46.18 87.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.561 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 65' ' ' LEU . 91.8 mt -77.31 -12.19 59.92 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -173.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 20.4 p -100.96 -14.66 17.79 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.303 -0.559 . . . . 0.0 112.083 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 75.5 p -127.32 -37.26 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -174.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 11.9 m -112.15 25.49 11.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -164.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.443 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 35.4 m -127.28 161.63 53.21 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 177.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.443 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 12.6 Cg_endo -57.62 111.36 0.81 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.327 2.018 . . . . 0.0 110.737 173.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -60.78 -24.62 65.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -170.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 20.9 p -90.53 -46.75 8.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.085 0.469 . . . . 0.0 111.634 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -91.8 16.12 11.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.968 -176.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 6.6 p -55.95 -43.48 77.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.066 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.45 -39.86 92.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.995 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.04 -55.74 20.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.894 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.15 -40.67 94.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.622 -176.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.95 -49.33 78.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 111.096 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -79.36 -26.26 42.1 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.094 -177.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.6 90.11 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 174.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.444 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 65.4 t80 -62.62 -42.39 99.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.188 176.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.575 ' O ' HG12 ' B' ' 66' ' ' ILE . 49.1 m -59.08 -57.1 14.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -60.13 -33.05 71.62 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.783 -0.189 . . . . 0.0 111.306 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 70.1 m -62.29 -41.52 98.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.465 ' O ' HG23 ' B' ' 69' ' ' VAL . 95.5 mt -63.31 -46.44 86.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.393 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.575 HG12 ' O ' ' B' ' 62' ' ' SER . 14.3 mm -57.64 -49.29 81.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 121.058 0.456 . . . . 0.0 110.166 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -63.71 -41.38 98.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.902 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.69 68.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.984 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 54' ' ' CYS . 60.1 t -62.86 -46.74 95.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.714 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.89 -37.6 74.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.259 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 50.8 m -76.47 -39.27 53.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.765 0.317 . . . . 0.0 111.229 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -65.64 -45.82 81.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.662 0.267 . . . . 0.0 111.137 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.452 HD21 ' HG3' ' A' ' 51' ' ' GLN . 10.8 mp -74.06 -41.85 61.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.793 0.33 . . . . 0.0 110.299 177.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 62.68 16.53 8.99 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.214 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -70.85 -50.66 32.85 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -83.48 96.04 8.47 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 170.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -84.88 39.12 0.74 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.415 0.626 . . . . 0.0 110.716 -173.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -89.08 33.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -152.23 139.72 19.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.984 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 84.3 t60 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.783 179.219 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.74 80.82 1.87 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.235 0.54 . . . . 0.0 110.406 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.498 ' HG3' ' H ' ' A' ' 3' ' ' GLN . 1.1 pp0? -90.96 47.33 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.492 0.663 . . . . 0.0 111.336 -177.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -59.2 -50.09 75.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.405 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p -113.43 80.2 1.34 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.298 177.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -91.37 1.3 57.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.996 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.7 t80 63.05 87.02 0.11 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.711 177.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.726 ' HB2' ' HG3' ' A' ' 11' ' ' GLN . 18.1 m -124.98 144.59 50.3 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.07 -176.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.12 -34.6 68.52 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 170.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.97 94.89 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.38 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.726 ' HG3' ' HB2' ' A' ' 8' ' ' SER . 45.9 mt-30 -68.57 -46.67 68.81 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.077 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.683 ' O ' HG23 ' A' ' 16' ' ' VAL . 63.3 tp -61.03 -59.25 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.861 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -56.31 -39.35 72.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.552 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.43 96.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.754 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.0 mt -69.16 -49.27 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.203 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.0 t -63.98 -45.61 96.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.95 0.405 . . . . 0.0 110.647 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -66.41 -34.91 79.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.663 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -71.71 -37.87 70.58 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.417 ' HA ' HG22 ' A' ' 22' ' ' VAL . 53.0 tpp -62.36 -45.77 91.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.66 177.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.5 mt -62.61 -38.95 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.114 0.483 . . . . 0.0 110.29 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.84 -52.63 55.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.103 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 19' ' ' MET . 33.2 m -67.47 -24.64 31.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.649 0.261 . . . . 0.0 110.96 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.18 -38.27 89.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 110.093 175.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 1.8 tm-20 -66.18 -43.25 87.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.972 178.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 3.7 mptp? -75.19 -21.65 58.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.063 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.37 -34.24 55.09 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 171.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 48.2 mttp 56.95 75.34 0.37 Allowed 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.959 -175.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.47 106.03 43.03 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.16 173.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.97 165.41 16.6 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.522 2.148 . . . . 0.0 111.845 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p -51.11 -29.91 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.621 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' O ' HG13 ' A' ' 35' ' ' ILE . 3.9 m-20 -60.89 -68.89 0.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.191 0.519 . . . . 0.0 110.513 176.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -66.23 -36.77 83.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.366 -175.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.3 t -63.17 -42.0 99.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.387 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.22 -38.97 92.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.301 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 31' ' ' ASP . 44.7 mt -68.61 -41.37 82.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.87 0.367 . . . . 0.0 110.694 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -61.97 -48.93 78.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.515 177.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.13 -29.01 69.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.585 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.49 -52.11 51.44 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.07 176.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -63.88 -36.66 84.66 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.072 0.463 . . . . 0.0 110.764 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -66.52 -48.1 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.589 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.08 -55.55 33.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.569 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.7 p -58.76 -46.96 86.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.699 0.285 . . . . 0.0 110.9 -176.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -57.19 -54.1 50.56 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.924 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.94 -43.26 96.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.636 -177.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.493 ' O ' HG22 ' A' ' 49' ' ' VAL . 83.7 mt -59.81 -26.48 65.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.737 0.303 . . . . 0.0 111.255 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.2 p -96.39 16.05 19.6 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.9 t -147.67 -20.48 0.37 Allowed 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.0 p -99.23 -41.31 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.862 -0.524 . . . . 0.0 111.835 -176.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.83 HG23 ' H ' ' A' ' 51' ' ' GLN . 4.8 m -76.99 171.63 11.9 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -176.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.487 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 51.3 Cg_exo -56.46 -11.74 7.02 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.26 2.64 . . . . 0.0 113.739 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.83 ' H ' HG23 ' A' ' 49' ' ' VAL . 48.9 tt0 75.35 -55.32 0.63 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.762 0.825 . . . . 0.0 111.752 173.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.9 m -66.65 -23.52 66.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.259 0.552 . . . . 0.0 110.959 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HG2' ' HB3' ' A' ' 56' ' ' ALA . 8.0 tt0 -119.21 22.28 11.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.724 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.7 t -55.79 -46.94 77.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.518 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.608 ' HG3' HG23 ' B' ' 66' ' ' ILE . 35.1 tt0 -62.31 -41.06 98.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.382 -175.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.52 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . . . -66.61 -39.58 88.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.84 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.51 -37.99 86.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.697 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.37 88.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.818 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.96 -36.92 83.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.158 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.97 86.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.881 0.372 . . . . 0.0 110.547 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -64.95 -42.08 94.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.648 ' O ' HG12 ' A' ' 66' ' ' ILE . 48.5 t -56.64 -55.64 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.7 177.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -56.3 -35.76 67.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.618 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.2 t -63.76 -40.05 95.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.837 0.351 . . . . 0.0 110.232 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 69' ' ' VAL . 92.5 mt -67.51 -45.39 75.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.187 177.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.648 HG12 ' O ' ' A' ' 62' ' ' SER . 17.4 mm -56.98 -48.3 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.821 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -56.59 -44.11 80.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.062 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.31 84.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.074 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 65' ' ' LEU . 91.2 t -60.99 -49.08 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HD2' HG22 ' A' ' 66' ' ' ILE . 29.1 mtpp -59.16 -39.63 83.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.288 -178.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.2 m -70.19 -28.45 65.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.355 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 72' ' ' ARG . 35.7 ttt-85 -87.89 -42.6 12.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.942 0.401 . . . . 0.0 111.149 -178.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.39 -1.01 57.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.444 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -34.51 108.68 0.07 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.82 0.848 . . . . 0.0 113.096 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -99.27 134.29 42.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 172.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -84.86 78.92 9.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.577 0.703 . . . . 0.0 111.101 -173.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -129.9 110.59 11.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.741 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -82.09 76.9 8.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.447 ' O ' ' HB3' ' A' ' 80' ' ' HIS . 47.0 t-80 69.83 154.32 0.12 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.483 -169.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 79' ' ' HIS . 55.8 t-80 . . . . . 0 C--O 1.246 0.918 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.9 7.98 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.244 0.545 . . . . 0.0 110.883 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -97.72 132.72 43.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.616 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -87.25 -22.04 25.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.403 0.621 . . . . 0.0 109.369 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.561 ' HA ' ' HG2' ' B' ' 11' ' ' GLN . 7.4 m -81.65 29.4 0.38 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.693 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -79.41 39.42 0.4 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.526 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 60.57 79.0 0.26 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.255 0.55 . . . . 0.0 110.055 -173.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.445 ' HB3' ' CB ' ' B' ' 11' ' ' GLN . 12.9 t -122.96 136.47 54.87 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.989 -178.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.37 -26.26 67.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.02 -38.46 44.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.335 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.561 ' HG2' ' HA ' ' B' ' 5' ' ' SER . 24.1 tp60 -63.76 -46.31 85.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.831 175.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.672 ' O ' HG23 ' B' ' 16' ' ' VAL . 53.0 tp -60.47 -55.52 32.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.802 -179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 67.1 m -51.73 -44.42 63.26 Favored 'General case' 0 C--O 1.226 -0.16 0 O-C-N 123.428 0.455 . . . . 0.0 111.676 -176.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.18 90.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.566 0.222 . . . . 0.0 111.386 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.403 HG13 ' O ' ' B' ' 11' ' ' GLN . 75.7 mt -68.13 -45.85 82.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.675 0.274 . . . . 0.0 110.691 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.672 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.1 t -69.0 -38.07 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -63.25 -36.97 85.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.815 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.78 ' O ' HG23 ' B' ' 22' ' ' VAL . 35.4 t70 -68.13 -43.93 77.24 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 25.9 mmt -54.79 -44.46 73.77 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.406 0.441 . . . . 0.0 110.961 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.8 mt -60.87 -40.45 85.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.343 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.27 -42.84 83.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.947 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.78 HG23 ' O ' ' B' ' 18' ' ' ASP . 47.7 t -56.89 -42.43 78.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 121.011 0.434 . . . . 0.0 110.488 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' B' ' 28' ' ' ALA . 55.1 tp -66.17 -41.84 89.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.808 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -71.62 -43.15 66.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.39 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -64.49 -42.28 95.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.043 0.449 . . . . 0.0 111.197 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -87.0 -17.72 32.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.49 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.521 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 8.9 mtpm? 52.11 46.76 26.06 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.417 0.448 . . . . 0.0 111.402 -177.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.405 ' HB3' HD12 ' B' ' 23' ' ' LEU . . . -68.83 124.63 90.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.79 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -54.65 142.89 71.32 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.49 2.127 . . . . 0.0 111.696 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.589 ' O ' HD23 ' B' ' 34' ' ' LEU . 31.2 m -68.93 5.38 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.506 0.669 . . . . 0.0 111.266 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.537 ' O ' HG13 ' B' ' 35' ' ' ILE . 21.0 t70 -92.82 -57.8 2.54 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.547 172.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.21 -29.83 48.55 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.989 -174.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 20.6 p -62.56 -38.14 88.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.946 0.403 . . . . 0.0 110.134 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.589 HD23 ' O ' ' B' ' 30' ' ' VAL . 4.2 mm? -74.75 -32.42 62.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.673 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 31' ' ' ASP . 73.6 mt -65.53 -48.41 82.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 120.724 0.297 . . . . 0.0 110.301 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.49 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -55.8 -42.26 75.35 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.721 173.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.17 -46.54 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.821 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.72 -44.33 98.06 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.096 -0.574 . . . . 0.0 112.331 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -57.74 -48.97 78.1 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.008 0.433 . . . . 0.0 110.401 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 56.2 ttp -67.16 -43.45 82.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.803 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.84 83.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.98 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.7 m -57.47 -48.57 78.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.962 0.41 . . . . 0.0 110.983 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -63.37 -40.38 97.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.98 -41.95 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.465 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -68.91 -20.54 64.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.747 0.308 . . . . 0.0 111.756 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.2 p -101.01 13.05 36.48 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.462 -0.495 . . . . 0.0 112.003 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.3 p -139.82 -48.68 0.46 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.3 m -94.52 -10.46 32.14 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -167.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.656 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 21.1 m -120.28 164.45 22.65 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.656 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 10.0 Cg_endo -53.93 102.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.727 2.285 . . . . 0.0 112.032 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.534 ' HA ' ' HB3' ' B' ' 54' ' ' CYS . 4.0 pt20 -78.98 -0.65 31.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.724 -173.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 24.9 p -87.19 -24.52 24.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.348 0.594 . . . . 0.0 110.236 175.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -117.56 22.65 12.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . 0.534 ' HB3' ' HA ' ' B' ' 51' ' ' GLN . 4.9 p -48.97 -48.21 43.39 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.824 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.63 -45.27 94.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.627 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.52 73.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.494 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.17 -42.21 99.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.238 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.87 -43.71 98.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.944 0.402 . . . . 0.0 110.98 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -69.74 -37.36 76.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.61 87.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.775 0.321 . . . . 0.0 111.098 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -63.93 -43.69 95.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.768 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.597 ' O ' HG12 ' B' ' 66' ' ' ILE . 8.5 p -66.92 -43.07 84.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.229 -178.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -59.82 -33.02 71.21 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.809 0.337 . . . . 0.0 111.043 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 31.1 m -66.45 -39.48 88.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.948 0.404 . . . . 0.0 110.03 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.486 ' O ' HG23 ' B' ' 69' ' ' VAL . 98.7 mt -65.84 -35.61 81.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.495 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.608 HG23 ' HG3' ' A' ' 55' ' ' GLU . 40.2 mm -58.06 -41.85 81.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 121.382 0.611 . . . . 0.0 110.128 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.84 -37.64 86.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.349 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.22 85.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.18 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 65' ' ' LEU . 86.3 t -58.21 -46.53 88.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.903 0.382 . . . . 0.0 110.184 175.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' B' ' 74' ' ' GLU . 64.3 mttp -62.41 -38.33 89.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.86 177.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 40.1 m -60.46 -33.77 73.04 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 111.239 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -80.59 -37.54 31.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.074 0.464 . . . . 0.0 110.34 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 52.1 tp -66.57 -35.6 80.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.106 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' B' ' 70' ' ' LYS . 47.3 mt-10 -74.75 108.75 7.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.483 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -80.37 -7.43 59.09 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.329 0.585 . . . . 0.0 109.688 170.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -79.84 -29.14 40.04 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 170.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 72.01 2.58 4.36 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.453 -1.249 . . . . 0.0 113.384 165.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . 0.441 ' O ' ' HB3' ' B' ' 79' ' ' HIS . 3.2 m80 54.4 86.06 0.05 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -171.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . 0.441 ' HB3' ' O ' ' B' ' 78' ' ' HIS . 27.6 t60 72.48 98.37 0.07 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.931 -166.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.55 -0.738 . . . . 0.0 110.206 -175.534 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.763 ' HG3' ' H ' ' A' ' 2' ' ' ALA . 10.4 tpt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.763 ' H ' ' HG3' ' A' ' 1' ' ' MET . . . -62.16 106.24 0.7 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.06 0.457 . . . . 0.0 111.229 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.71 130.07 49.53 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 -178.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -83.54 58.88 4.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.982 0.42 . . . . 0.0 111.313 -174.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 t 61.29 -177.05 0.12 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.523 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -118.27 40.39 3.2 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 122.16 -0.337 . . . . 0.0 110.984 -173.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.1 t80 59.32 81.76 0.16 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.356 0.598 . . . . 0.0 110.318 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.431 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 42.0 t -107.85 144.22 35.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.93 -175.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -70.66 -22.16 62.52 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.38 -33.48 37.16 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.431 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 57.7 tt0 -62.3 -46.14 90.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.385 173.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.4 tm? -57.18 -52.18 66.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.952 174.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -56.06 -40.87 74.19 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.296 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.85 78.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.797 0.332 . . . . 0.0 111.241 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.7 mt -72.2 -44.37 64.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.6 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.8 t -64.48 -38.49 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -56.38 -42.25 77.58 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.975 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.735 ' O ' HG23 ' A' ' 22' ' ' VAL . 6.8 t0 -62.45 -57.98 9.28 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.2 ttp -53.25 -44.96 68.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.778 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.0 mt -60.71 -45.57 97.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 110.452 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.37 -34.17 77.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.495 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 18' ' ' ASP . 60.1 t -66.68 -42.55 89.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.082 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 mp -68.03 -35.53 78.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.595 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -65.33 -26.67 68.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.192 0.52 . . . . 0.0 109.724 174.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -75.32 -24.82 57.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.745 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -98.42 -34.52 10.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.957 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 tptm 57.46 78.62 0.22 Allowed 'General case' 0 CA--C 1.531 0.22 0 O-C-N 123.915 0.759 . . . . 0.0 111.37 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.86 143.69 26.81 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.158 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.23 38.62 0.55 Allowed 'Trans proline' 0 N--CA 1.477 0.528 0 C-N-CA 123.258 2.639 . . . . 0.0 114.235 -172.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.5 t 71.89 -52.23 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.604 0.762 . . . . 0.0 112.153 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.85 -59.73 4.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.137 0.494 . . . . 0.0 110.695 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.495 HD23 HD12 ' A' ' 35' ' ' ILE . 97.1 mt -66.35 -28.06 68.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.15 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -62.97 -39.24 94.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.978 0.418 . . . . 0.0 110.097 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -71.53 -38.43 71.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.81 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.495 HD12 HD23 ' A' ' 32' ' ' LEU . 54.1 mt -64.52 -43.15 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.668 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.51 -46.55 89.72 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.262 176.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.0 -41.49 87.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.715 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.8 -53.26 47.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.226 -0.512 . . . . 0.0 112.242 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.458 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 93.3 m-20 -61.04 -40.95 95.54 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.83 0.348 . . . . 0.0 110.719 178.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.9 ttt -64.65 -54.0 38.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.42 -177.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.51 84.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.375 -176.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 t -63.81 -40.57 96.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.542 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 24.3 t-20 -59.81 -45.71 91.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.823 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.54 -37.21 76.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.956 0.407 . . . . 0.0 111.098 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.3 mt -75.93 -13.4 60.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.668 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.42 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 18.8 p -107.59 8.68 29.31 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.741 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.7 p -126.44 -46.0 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.8 t -87.47 -56.23 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.72 -172.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.501 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 29.0 m -76.12 162.84 69.96 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.716 -177.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.52 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . 78.2 Cg_exo -47.17 119.65 3.66 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.984 2.456 . . . . 0.0 112.416 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.919 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 79.8 mt-30 -70.86 -21.09 62.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.969 -172.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 p -83.34 -14.56 52.64 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.629 0.728 . . . . 0.0 110.554 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HB2' ' HB2' ' A' ' 50' ' ' PRO . 78.2 mt-30 -106.57 4.7 28.37 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.083 178.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.919 ' SG ' ' HA ' ' A' ' 51' ' ' GLN . 68.1 m -53.5 -45.55 69.72 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.363 0.414 . . . . 0.0 111.225 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.14 -44.99 90.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.94 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.11 76.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.217 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -68.58 -37.05 79.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.925 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.25 -44.68 95.99 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -59.67 -44.76 93.45 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.745 175.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.7 98.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -64.12 -55.26 23.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.649 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.646 ' O ' HG12 ' A' ' 66' ' ' ILE . 74.6 p -62.35 -46.57 88.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.183 -175.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -61.63 -30.9 71.01 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -65.93 -36.74 84.2 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 69' ' ' VAL . 4.1 mm? -71.99 -39.75 69.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.692 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.646 HG12 ' O ' ' A' ' 62' ' ' SER . 26.4 mm -60.51 -46.2 95.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.05 0.452 . . . . 0.0 109.853 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -63.08 -34.22 77.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.816 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.6 98.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.301 176.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 65' ' ' LEU . 89.5 t -62.19 -41.39 91.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.367 176.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 66' ' ' ILE . 73.9 mmtt -59.83 -41.99 92.57 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.409 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.8 m -72.21 -32.75 67.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.877 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -78.46 -15.89 58.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.133 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.7 tp -86.8 -51.44 6.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.073 0.463 . . . . 0.0 110.294 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -82.06 121.12 26.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.255 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -115.81 -98.42 0.45 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.365 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -100.12 145.69 27.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.842 0.353 . . . . 0.0 110.502 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -84.09 108.64 17.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.563 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -103.85 -43.12 5.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.645 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -79.72 14.09 1.85 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.061 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 . . . . . 0 C--O 1.242 0.705 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.335 178.742 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.56 -84.22 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.903 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -107.51 90.02 3.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.219 0.533 . . . . 0.0 112.406 -169.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -149.29 -9.83 0.32 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.373 170.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 4.8 p -66.17 -47.95 72.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.681 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.472 ' O ' HD11 ' A' ' 32' ' ' LEU . 90.9 mttt -61.36 -41.43 97.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.577 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -103.68 62.39 0.77 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.534 0.683 . . . . 0.0 111.29 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 63.2 m -92.07 107.42 19.19 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.024 172.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -63.4 -14.58 51.86 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.47 -39.1 67.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.779 HE21 ' HA ' ' B' ' 11' ' ' GLN . 0.0 OUTLIER -69.09 -42.26 76.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.489 175.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.67 ' O ' HG23 ' B' ' 16' ' ' VAL . 42.4 tp -58.52 -54.18 49.91 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.605 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.3 m -53.33 -42.93 67.25 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 123.375 0.422 . . . . 0.0 111.242 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.62 88.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.115 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 60.6 mt -73.89 -46.31 46.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.355 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.4 t -65.68 -39.54 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.028 0.442 . . . . 0.0 110.316 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -66.75 -33.82 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.737 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.758 ' O ' HG23 ' B' ' 22' ' ' VAL . 22.8 t70 -72.28 -34.72 68.39 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 56.1 mtt -58.63 -42.07 87.45 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 123.484 0.49 . . . . 0.0 110.945 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.98 -40.41 88.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.226 0.536 . . . . 0.0 109.874 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.91 -30.35 71.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.746 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.758 HG23 ' O ' ' B' ' 18' ' ' ASP . 47.0 t -62.61 -47.28 93.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.127 175.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.06 -40.75 94.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.463 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.74 -37.96 73.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.486 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -61.85 -43.48 98.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.43 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -96.71 -2.17 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.805 0.336 . . . . 0.0 110.189 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp 55.6 76.54 0.27 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.547 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.59 118.47 45.16 Favored Pre-proline 0 N--CA 1.449 -0.517 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.688 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.7 165.56 30.48 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.231 1.954 . . . . 0.0 110.316 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.472 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 34.2 m -58.6 -29.62 39.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -174.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.459 ' O ' HG13 ' B' ' 35' ' ' ILE . 2.9 m-20 -56.43 -65.04 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.529 0.68 . . . . 0.0 110.071 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 mt -68.11 -33.76 75.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.867 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.505 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 43.5 t -62.91 -43.21 99.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.962 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 30' ' ' VAL . 82.9 mt -66.98 -38.42 86.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.508 0.194 . . . . 0.0 110.757 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 31' ' ' ASP . 57.6 mt -64.17 -45.12 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.384 177.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.461 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -57.26 -44.92 84.34 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 176.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' B' ' 33' ' ' SER . 93.5 mt -62.52 -42.17 99.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.416 177.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.66 -44.21 98.13 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.135 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -46.52 89.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.813 0.339 . . . . 0.0 110.476 178.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 15.8 tpt -64.03 -42.19 97.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.923 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.09 91.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.669 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -62.78 -48.94 76.99 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.111 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' B' ' 43' ' ' ASN . 10.9 m120 -54.32 -47.63 72.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.979 179.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.02 -49.08 76.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.47 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.83 -12.17 61.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 20.8 p -105.02 1.24 28.43 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.06 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -135.13 -43.57 0.72 Allowed 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -178.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.4 m -89.98 9.71 26.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.951 0.405 . . . . 0.0 111.737 -170.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.621 HG12 HD12 ' B' ' 57' ' ' LEU . 34.2 m -98.58 147.8 33.66 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.34 -67.11 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.681 2.254 . . . . 0.0 111.85 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -170.46 -89.07 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.001 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -71.71 -11.51 60.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.339 0.59 . . . . 0.0 110.82 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -81.46 4.25 21.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.479 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . 0.453 ' HB3' HG21 ' B' ' 49' ' ' VAL . 11.2 p -57.55 -44.26 85.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.33 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -54.19 -53.35 54.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.232 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.37 86.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.522 -176.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.621 HD12 HG12 ' B' ' 49' ' ' VAL . 86.1 mt -71.98 -36.21 69.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.409 -176.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.17 -50.35 66.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 110.642 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.434 ' OE1' HD12 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -67.36 -31.94 72.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.044 178.472 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.7 83.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.902 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.87 -40.19 87.81 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.024 0.44 . . . . 0.0 110.101 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.72 ' O ' HG12 ' B' ' 66' ' ' ILE . 43.7 t -60.84 -64.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.638 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.72 -43.25 80.42 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.904 -172.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 69.2 p -63.11 -38.73 92.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.809 0.338 . . . . 0.0 110.84 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 tt -71.02 -39.84 72.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.832 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.72 HG12 ' O ' ' B' ' 62' ' ' SER . 20.2 mm -61.11 -46.54 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-O 121.252 0.548 . . . . 0.0 109.95 177.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.432 ' HA ' ' HB2' ' B' ' 70' ' ' LYS . 61.5 t30 -63.79 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.757 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.252 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.0 -44.42 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.824 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.432 ' HB2' ' HA ' ' B' ' 67' ' ' ASN . 23.8 mmtm -54.89 -39.66 68.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.584 176.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 37.1 m -76.39 -26.79 55.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.515 -177.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -78.15 -39.68 40.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 0.0 110.019 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 53.6 tp -71.99 -46.58 56.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.25 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -102.24 97.81 8.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -46.75 125.65 7.53 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.825 0.703 . . . . 0.0 112.523 -171.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -61.75 124.18 20.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.938 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -71.61 155.81 40.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.167 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -121.73 71.26 0.97 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 8.4 t60 68.51 -65.71 0.26 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.409 -170.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 . . . . . 0 C--O 1.243 0.762 0 CA-C-O 118.378 -0.82 . . . . 0.0 109.284 175.399 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tmm? . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.45 -27.21 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.922 0.391 . . . . 0.0 110.56 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -78.37 104.12 8.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.401 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -68.17 92.76 0.41 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.653 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -147.58 113.7 5.84 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.177 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -81.67 -80.58 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -92.54 -53.33 4.24 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 172.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.49 ' HB3' ' CB ' ' A' ' 11' ' ' GLN . 40.0 t -174.06 120.72 0.28 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.247 169.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -69.84 -19.9 63.44 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.44 -35.92 46.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.518 175.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.49 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 59.8 tt0 -64.35 -38.83 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.958 174.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 16' ' ' VAL . 63.0 tp -58.25 -54.77 43.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.474 177.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -35.42 64.91 Favored 'General case' 0 C--O 1.226 -0.137 0 O-C-N 123.069 0.231 . . . . 0.0 111.426 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.53 92.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 0.0 110.655 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.8 mt -64.18 -43.3 97.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.026 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.5 t -71.62 -27.57 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.174 0.512 . . . . 0.0 110.134 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -72.24 -35.29 68.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.454 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.718 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -63.33 -42.26 98.94 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.371 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 16' ' ' VAL . 22.9 mmt -51.6 -47.65 63.51 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.412 0.445 . . . . 0.0 110.809 176.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.93 -41.89 87.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.65 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.573 ' O ' ' HD3' ' A' ' 25' ' ' LYS . . . -66.0 -52.2 51.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.604 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 18' ' ' ASP . 48.4 t -54.9 -40.59 53.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.807 -178.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 28' ' ' ALA . 37.2 tp -67.54 -38.79 84.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.015 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.26 -42.63 65.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.812 -174.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 2.4 mptm? -55.02 -56.29 21.44 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.881 0.372 . . . . 0.0 111.761 -176.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -79.03 -18.1 54.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 tttp 56.08 77.12 0.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.382 -175.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -99.04 120.15 59.11 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.182 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.15 162.69 31.9 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.545 2.163 . . . . 0.0 111.868 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.8 m -55.34 -27.21 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.787 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.503 ' O ' HG13 ' A' ' 35' ' ' ILE . 6.9 m-20 -64.59 -65.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.94 0.4 . . . . 0.0 110.525 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.5 mt -67.17 -34.0 76.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.415 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.45 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 39.2 t -63.69 -42.16 98.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.695 0.283 . . . . 0.0 110.528 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.43 -40.26 89.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.1 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 31' ' ' ASP . 49.3 mt -65.92 -41.73 90.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.5 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.04 -48.17 82.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.447 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 33' ' ' SER . 99.0 mt -62.29 -41.65 98.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.533 177.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.91 -49.62 73.87 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.436 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -60.13 -43.23 95.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.976 0.417 . . . . 0.0 110.612 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.474 ' O ' HD13 ' A' ' 44' ' ' LEU . 54.3 ttp -65.73 -51.37 59.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.059 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.21 -46.96 87.07 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.578 ' HB3' HD22 ' B' ' 65' ' ' LEU . 16.2 p -61.07 -46.26 91.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 110.479 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.63 -47.15 85.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.595 176.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 40' ' ' MET . 4.8 mp -57.98 -49.03 78.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.722 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 97.4 mt -63.9 -30.93 71.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.337 -177.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 p -96.88 11.14 36.92 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.937 -177.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.4 m -134.52 -46.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.446 ' HB3' HG11 ' B' ' 30' ' ' VAL . 17.5 m -82.81 -58.76 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.699 0.285 . . . . 0.0 111.764 -172.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.611 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 28.8 m -84.71 169.81 15.46 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -178.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.724 ' HB2' ' HB3' ' A' ' 53' ' ' GLN . 79.2 Cg_exo -48.7 117.95 3.06 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.63 2.22 . . . . 0.0 111.724 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -53.67 -43.62 69.03 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -169.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -16.55 30.53 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -176.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.724 ' HB3' ' HB2' ' A' ' 50' ' ' PRO . 59.5 tt0 -94.0 -3.98 50.44 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.354 0.597 . . . . 0.0 109.488 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 18.6 p -70.89 -30.05 66.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.205 -175.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.62 ' HG3' HG23 ' B' ' 66' ' ' ILE . 32.4 tt0 -62.44 -37.7 86.89 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.909 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.34 94.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.227 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.86 -40.21 91.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.214 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.79 97.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.812 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -67.06 -37.84 84.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 175.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.41 98.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.501 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -62.83 -38.2 89.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.166 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.654 ' O ' HG12 ' A' ' 66' ' ' ILE . 33.2 t -58.29 -57.77 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.141 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -56.58 -33.13 65.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.264 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.5 m -65.44 -41.23 93.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.254 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 69' ' ' VAL . 92.5 mt -67.92 -39.81 83.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.536 176.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.654 HG12 ' O ' ' A' ' 62' ' ' SER . 23.3 mm -59.98 -42.92 91.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -62.86 -40.0 96.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.611 175.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.26 90.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.611 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.517 HG11 ' HB3' ' B' ' 55' ' ' GLU . 92.7 t -59.38 -47.48 90.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.436 176.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -56.24 -47.98 77.4 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.759 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.7 m -67.56 -19.83 65.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.088 0.47 . . . . 0.0 111.331 -176.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -82.99 -39.57 21.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.948 0.404 . . . . 0.0 110.773 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.9 mt -93.55 -25.59 17.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.987 -175.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -97.6 102.45 14.21 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.101 0.477 . . . . 0.0 109.973 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -97.73 125.87 42.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.314 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -100.03 -156.18 0.54 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.335 -175.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 61.56 39.01 15.17 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.138 0.494 . . . . 0.0 109.7 -177.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -64.77 113.04 3.52 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 121.51 0.672 . . . . 0.0 109.614 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -88.5 -23.62 23.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.91 -172.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.231 -178.715 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.52 -49.1 79.1 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 121.087 0.47 . . . . 0.0 110.124 175.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -73.67 130.4 39.93 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 170.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -93.12 102.29 14.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.263 0.554 . . . . 0.0 111.66 -173.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -97.64 -53.63 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.291 176.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -135.55 79.76 1.8 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.649 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 29.71 78.27 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.497 1.123 . . . . 0.0 113.062 173.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.506 ' HB2' ' HG2' ' B' ' 11' ' ' GLN . 58.8 m -59.17 126.28 27.05 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.573 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.56 -20.72 61.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 171.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.19 -35.9 66.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.637 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.506 ' HG2' ' HB2' ' B' ' 8' ' ' SER . 75.3 mm-40 -67.22 -49.29 65.06 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.691 176.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.673 ' O ' HG23 ' B' ' 16' ' ' VAL . 52.0 tp -59.45 -56.07 26.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.007 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 72.1 p -57.8 -40.86 80.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.365 -174.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.92 -42.99 85.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.906 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.29 -53.86 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.983 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.1 t -63.47 -43.25 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.783 0.325 . . . . 0.0 111.217 -173.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -72.17 -31.99 66.43 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.296 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.733 ' O ' HG23 ' B' ' 22' ' ' VAL . 22.2 t70 -72.45 -42.25 65.2 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 53.1 mtt -54.18 -46.95 72.49 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.471 0.482 . . . . 0.0 110.866 176.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 16' ' ' VAL . 77.0 mt -54.09 -45.96 66.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.991 0.424 . . . . 0.0 110.401 176.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.93 -37.86 85.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.373 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 18' ' ' ASP . 46.7 t -69.35 -38.2 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.699 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.57 -44.21 82.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.714 0.292 . . . . 0.0 110.283 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -58.96 -38.53 79.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.431 0.634 . . . . 0.0 109.655 174.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.502 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 17.7 tppt? -57.99 -32.63 68.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.292 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -93.11 -14.52 27.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.039 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' B' ' 27' ' ' LYS . 66.6 mmtt 54.47 44.73 28.37 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 123.481 0.488 . . . . 0.0 110.825 -177.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.9 123.9 83.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.342 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.37 158.93 37.96 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.296 1.997 . . . . 0.0 111.38 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.446 HG11 ' HB3' ' A' ' 48' ' ' SER . 33.1 m -63.07 -17.42 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.994 0.426 . . . . 0.0 111.013 -178.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.545 ' O ' HG13 ' B' ' 35' ' ' ILE . 18.1 t70 -68.78 -63.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.51 177.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.86 -33.08 71.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.797 -174.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 16.5 p -65.38 -38.72 90.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.799 0.333 . . . . 0.0 111.021 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 68.5 mt -72.68 -32.64 65.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.798 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 31' ' ' ASP . 62.3 mt -67.0 -39.07 82.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.834 0.35 . . . . 0.0 110.212 176.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.424 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -59.46 -46.87 87.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.113 174.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.81 -40.29 92.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.303 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.82 -53.81 42.32 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.422 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -60.25 -42.52 95.47 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.714 0.292 . . . . 0.0 111.009 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.9 ttt -62.42 -50.12 72.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.034 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.94 96.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.523 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 40.6 m -60.01 -49.24 78.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.22 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.32 -35.63 81.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.004 0.431 . . . . 0.0 110.388 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.64 -52.31 58.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.86 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' B' ' 58' ' ' ALA . 96.5 mt -65.07 -26.0 68.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.928 -175.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 15.9 p -89.38 -1.42 58.05 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.4 p -128.19 -44.7 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 17.0 m -89.09 -21.14 23.55 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -169.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.581 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 34.9 m -121.42 166.38 16.43 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.581 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 84.5 Cg_exo -48.06 119.82 4.29 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.941 2.428 . . . . 0.0 112.676 177.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.86 -31.38 72.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.892 -175.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . 0.514 HG23 ' HG3' ' B' ' 53' ' ' GLN . 12.4 t -86.19 -5.94 59.09 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.386 -177.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.53 ' HB2' ' HB2' ' B' ' 50' ' ' PRO . 24.4 mt-30 -126.45 6.0 6.93 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.739 -177.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 17.7 p -67.62 -31.4 71.4 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.732 -177.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.517 ' HB3' HG11 ' A' ' 69' ' ' VAL . 10.4 pt-20 -63.9 -34.58 78.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.992 0.425 . . . . 0.0 110.518 176.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.43 -44.31 71.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.303 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' B' ' 57' ' ' LEU . 4.3 mm? -66.86 -40.43 87.87 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.101 179.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.472 ' HB2' HD13 ' B' ' 45' ' ' LEU . . . -62.05 -45.5 93.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.104 0.478 . . . . 0.0 110.624 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -64.15 -40.58 96.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.292 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.25 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.146 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.469 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 80.3 t80 -55.65 -43.72 76.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.079 0.466 . . . . 0.0 110.191 178.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.692 ' O ' HG12 ' B' ' 66' ' ' ILE . 47.3 t -61.86 -51.38 68.45 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.64 176.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -55.42 -42.95 74.83 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.759 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 50.8 m -59.06 -38.14 78.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.569 177.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' A' ' 42' ' ' SER . 80.4 mt -73.54 -38.58 65.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.692 HG12 ' O ' ' B' ' 62' ' ' SER . 49.2 mm -54.76 -49.32 69.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.448 0.642 . . . . 0.0 110.359 178.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -70.36 -32.25 69.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.702 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.25 86.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.734 0.302 . . . . 0.0 110.625 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 65' ' ' LEU . 75.5 t -57.49 -51.51 68.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.027 0.442 . . . . 0.0 109.844 174.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -58.71 -34.27 71.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.766 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 61.9 m -67.21 -34.15 76.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.556 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -87.6 -37.93 16.38 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.172 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 89.7 mt -78.54 -11.86 59.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.926 0.393 . . . . 0.0 111.332 -178.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -71.42 150.65 44.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.49 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -77.32 73.4 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.958 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -67.49 -67.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.252 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -144.2 -50.89 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.899 0.38 . . . . 0.0 111.12 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -125.0 154.15 41.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.506 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -144.34 -32.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.442 -0.79 . . . . 0.0 109.676 176.253 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.11 98.22 0.1 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.457 0.539 . . . . 0.0 112.457 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -121.94 -50.46 2.05 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 170.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -87.55 145.21 26.32 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 171.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m 60.62 52.95 4.24 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.485 0.66 . . . . 0.0 109.275 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -81.21 58.95 3.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.984 -173.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 60.9 42.62 12.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.837 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 p -59.87 113.38 2.26 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.635 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.11 -14.39 47.95 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.93 -45.8 40.06 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.367 176.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 15' ' ' ILE . 22.0 mt-30 -76.88 -34.27 57.78 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.621 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.5 tp -60.15 -59.84 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.24 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 m -59.68 -32.3 70.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.202 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.443 ' O ' ' HB3' ' A' ' 17' ' ' ASN . . . -58.79 -45.78 89.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.575 0.226 . . . . 0.0 110.913 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 11' ' ' GLN . 70.2 mt -65.73 -47.98 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -66.22 -23.67 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.056 0.455 . . . . 0.0 109.888 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' A' ' 14' ' ' ALA . 25.2 t-20 -66.21 -50.9 62.27 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.068 177.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.806 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.5 p30 -75.88 -22.17 56.41 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.622 -177.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.0 mtt -56.96 -43.49 81.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.894 0.378 . . . . 0.0 110.127 169.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.14 -44.7 92.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.82 175.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . -60.93 -37.84 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.109 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 18' ' ' ASP . 43.2 t -61.74 -41.51 90.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-O 121.118 0.485 . . . . 0.0 110.224 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.87 -38.79 92.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.831 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.6 -21.93 59.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.75 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 63.0 mttp -75.65 -24.95 56.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.709 0.29 . . . . 0.0 111.336 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -110.26 -33.59 6.61 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.098 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 53.04 78.11 0.15 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.359 0.664 . . . . 0.0 112.427 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.5 148.74 35.64 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.833 176.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HD2' HD12 ' A' ' 32' ' ' LEU . 65.6 Cg_endo -73.26 43.31 0.72 Allowed 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.23 2.62 . . . . 0.0 113.979 -175.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.3 t 72.96 -54.78 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 123.659 0.784 . . . . 0.0 112.078 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.497 ' O ' HG13 ' A' ' 35' ' ' ILE . 23.6 t70 -61.02 -54.63 42.47 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.57 -176.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.516 HD23 HD12 ' A' ' 35' ' ' ILE . 97.8 mt -59.16 -32.03 69.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.152 177.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 m -63.99 -41.99 97.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.122 0.487 . . . . 0.0 110.172 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 99.3 mt -70.55 -30.53 67.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.73 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.516 HD12 HD23 ' A' ' 32' ' ' LEU . 60.7 mt -68.6 -40.51 81.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.49 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.432 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.43 -43.79 96.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 110.091 175.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' B' ' 37' ' ' LEU . 52.3 tp -66.08 -39.74 90.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.444 177.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.62 -43.45 99.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.296 -0.478 . . . . 0.0 112.448 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -60.19 -42.65 95.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.413 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.5 ttt -63.85 -48.07 78.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.596 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.29 -51.3 67.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.011 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.6 m -59.08 -45.42 90.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.862 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -60.32 -55.48 33.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.303 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.12 -40.09 92.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.736 -175.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.2 mt -69.36 -30.2 68.16 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -177.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.1 p -93.88 4.71 53.52 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.9 -177.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.0 p -126.85 -47.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.7 m -83.99 -45.01 13.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.734 0.302 . . . . 0.0 111.689 -171.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.7 m -101.88 164.77 15.18 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.346 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.47 127.66 26.32 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.222 1.948 . . . . 0.0 111.635 175.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.581 ' HB3' HD21 ' B' ' 73' ' ' LEU . 25.0 mp0 -60.37 -37.36 80.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.977 -176.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.7 t -75.37 -14.13 60.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.133 0.492 . . . . 0.0 111.058 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.462 ' HG3' HD23 ' A' ' 57' ' ' LEU . 6.0 tp-100 -102.33 -27.17 12.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.872 -175.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.1 p -61.96 -29.81 70.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.552 -175.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.76 -43.94 90.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.967 0.413 . . . . 0.0 110.722 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.25 -44.6 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.61 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.462 HD23 ' HG3' ' A' ' 53' ' ' GLN . 4.4 mm? -63.7 -46.96 83.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.336 -179.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.73 97.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 110.975 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -64.58 -45.06 88.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.329 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.33 97.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.897 178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.515 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 44.4 t80 -60.91 -45.42 94.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.146 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.573 ' O ' HG12 ' A' ' 66' ' ' ILE . 25.4 m -64.29 -46.78 82.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -62.14 -33.77 75.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.311 . . . . 0.0 110.986 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -67.29 -35.52 79.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 69' ' ' VAL . 87.2 mt -67.32 -36.83 82.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.056 174.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 62' ' ' SER . 39.2 mm -58.23 -44.71 88.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.219 0.533 . . . . 0.0 109.683 175.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -62.96 -37.36 86.8 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.618 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.05 -40.66 91.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.605 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 65' ' ' LEU . 94.4 t -59.22 -46.21 92.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.515 176.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 66' ' ' ILE . 63.6 mttm -54.85 -46.13 74.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.095 0.474 . . . . 0.0 109.733 176.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.0 m -67.44 -26.83 66.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.272 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.532 ' HG3' HG21 ' B' ' 46' ' ' THR . 13.7 mmt180 -73.86 -41.48 62.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.791 0.329 . . . . 0.0 110.603 176.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.3 mp -68.66 -40.17 80.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 70' ' ' LYS . 44.9 mm-40 -70.31 -67.27 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.344 0.592 . . . . 0.0 110.157 176.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -87.64 70.09 9.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.768 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -80.73 148.35 30.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.305 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.7 13.97 1.17 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 112.164 -170.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.6 m170 69.02 -71.92 0.11 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.409 0.684 . . . . 0.0 110.449 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -102.43 -176.93 3.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.803 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 . . . . . 0 C--O 1.242 0.707 0 CA-C-O 119.018 -0.515 . . . . 0.0 109.925 177.792 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.247 0.546 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' B' ' 5' ' ' SER . . . -151.07 120.07 6.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.197 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -100.07 -35.4 9.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.78 0.324 . . . . 0.0 111.266 -176.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -105.24 14.65 28.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.64 0.257 . . . . 0.0 111.595 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.432 ' HB3' ' HB1' ' B' ' 2' ' ' ALA . 9.3 t -103.43 97.96 7.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.146 0.498 . . . . 0.0 110.532 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -132.47 14.29 4.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.021 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 64.65 80.01 0.24 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.085 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.509 ' HB2' ' HB3' ' B' ' 11' ' ' GLN . 16.2 m -93.28 118.32 31.13 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.37 -26.06 51.58 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.53 -37.99 55.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.936 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.509 ' HB3' ' HB2' ' B' ' 8' ' ' SER . 34.3 tt0 -73.08 -43.87 61.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.992 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.61 ' O ' HG23 ' B' ' 16' ' ' VAL . 51.8 tp -61.69 -51.76 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.714 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 27.0 p -57.23 -40.98 78.63 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.956 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.67 -39.53 77.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.686 0.279 . . . . 0.0 111.341 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.52 -53.53 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.212 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.2 t -70.28 -33.04 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 111.208 -174.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -69.12 -43.37 74.58 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.756 ' O ' HG23 ' B' ' 22' ' ' VAL . 27.0 t70 -65.73 -42.17 91.34 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.459 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 10.5 tpt -47.57 -50.57 23.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.247 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.435 HG13 ' O ' ' B' ' 16' ' ' VAL . 70.7 mt -63.41 -43.63 98.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -62.56 -38.61 90.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.708 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.756 HG23 ' O ' ' B' ' 18' ' ' ASP . 61.5 t -60.79 -43.39 95.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.375 176.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 19' ' ' MET . 91.5 mt -69.31 -25.54 64.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.285 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -78.63 -32.0 47.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.697 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 99.1 mttt -64.17 -40.18 95.58 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.19 0.519 . . . . 0.0 110.441 175.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -85.0 -20.46 30.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.627 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 tptp 60.03 80.08 0.22 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.778 -176.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.13 120.71 60.75 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.913 177.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.04 33.62 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.178 2.585 . . . . 0.0 113.801 -172.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 71.8 t 70.1 -53.32 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 123.574 0.749 . . . . 0.0 111.929 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -55.12 -65.96 0.49 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.171 0.588 . . . . 0.0 111.235 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.439 HD13 HD12 ' B' ' 35' ' ' ILE . 4.0 mm? -60.8 -26.72 67.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.371 176.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -68.24 -41.23 81.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.776 0.322 . . . . 0.0 110.16 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.615 HD23 HD21 ' B' ' 37' ' ' LEU . 93.8 mt -64.41 -37.97 89.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.439 HD12 HD13 ' B' ' 32' ' ' LEU . 55.7 mt -66.46 -39.22 83.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.516 176.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.37 -49.03 75.46 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.997 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.615 HD21 HD23 ' B' ' 34' ' ' LEU . 4.6 pp -69.46 -25.42 64.08 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.627 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.2 -47.49 71.87 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.448 173.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -60.66 -41.98 96.1 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.048 0.451 . . . . 0.0 110.013 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 54.0 tpp -60.19 -52.16 66.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.915 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.88 -46.55 74.79 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.125 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 24.6 m -56.07 -54.63 42.74 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.878 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.45 -49.28 77.89 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.232 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 63.4 mt -60.1 -43.04 95.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.918 0.39 . . . . 0.0 111.292 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.561 ' HB3' ' SG ' ' B' ' 54' ' ' CYS . 89.7 mt -72.74 -14.36 61.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.866 -178.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.532 HG21 ' HG3' ' A' ' 72' ' ' ARG . 19.8 p -110.61 -0.16 17.35 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.096 -0.641 . . . . 0.0 112.689 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 77.5 p -125.61 -28.81 3.24 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 21.6 m -107.78 -43.25 4.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -171.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.877 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 23.5 m -90.68 174.28 4.73 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.877 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 19.9 Cg_endo -60.9 101.6 0.18 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.0 1.8 . . . . 0.0 111.565 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.422 ' H ' ' CD ' ' B' ' 51' ' ' GLN . 0.0 OUTLIER -64.07 -30.68 71.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.08 -177.158 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 12.3 t -75.08 -11.76 60.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -123.33 10.43 9.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.191 0.52 . . . . 0.0 109.92 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . 0.561 ' SG ' ' HB3' ' B' ' 45' ' ' LEU . 40.1 t -57.82 -40.2 79.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.274 -173.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -55.79 -46.64 77.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.023 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.26 -46.38 83.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.274 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.9 -47.98 78.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.295 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.71 83.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.12 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -68.47 -32.64 72.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.005 0.431 . . . . 0.0 110.617 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.01 -46.54 51.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.631 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -59.26 -45.33 91.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.603 ' O ' HG12 ' B' ' 66' ' ' ILE . 6.8 p -62.96 -56.85 13.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.751 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -58.74 -41.4 86.36 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 68.6 m -66.16 -34.66 78.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.997 0.427 . . . . 0.0 110.518 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.422 ' O ' HG23 ' B' ' 69' ' ' VAL . 41.5 tp -64.79 -38.7 91.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.331 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.603 HG12 ' O ' ' B' ' 62' ' ' SER . 28.3 mm -59.61 -41.77 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.191 0.52 . . . . 0.0 109.926 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -65.64 -36.77 84.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.287 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.5 99.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.666 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 65' ' ' LEU . 98.3 t -57.15 -47.82 83.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.433 175.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -61.6 -33.4 73.84 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.128 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 22.4 m -74.2 -15.04 61.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.395 0.617 . . . . 0.0 110.761 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -87.64 -26.61 22.94 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 176.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 51' ' ' GLN . 4.6 mm? -90.77 -31.18 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.022 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -98.31 141.08 31.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.949 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -75.38 116.42 16.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.088 0.471 . . . . 0.0 111.058 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -73.11 144.02 47.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.028 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -140.69 134.76 30.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.356 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -121.77 -49.92 2.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.536 -171.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -82.72 143.79 30.66 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 27.0 m80 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.761 179.677 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 121.238 0.542 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.49 -16.65 59.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.586 177.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -84.38 100.58 11.38 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.866 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -149.87 39.76 0.79 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.032 0.444 . . . . 0.0 110.38 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -124.72 174.99 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.139 0.495 . . . . 0.0 111.281 -177.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -178.55 -67.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -107.75 -72.34 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 161.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.568 ' HB2' ' HG2' ' A' ' 11' ' ' GLN . 74.2 m -165.54 109.17 0.83 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.419 -1.264 . . . . 0.0 108.311 172.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -66.89 -21.5 66.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.55 82.43 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.655 174.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.568 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 27.7 mm-40 -61.5 -49.31 77.26 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.707 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.4 tp -57.16 -60.94 2.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.796 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -54.34 -41.67 69.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.886 -175.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.76 98.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 11' ' ' GLN . 69.1 mt -68.27 -46.57 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.239 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.2 t -63.04 -39.66 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -64.79 -38.58 91.47 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.105 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.684 ' O ' HG23 ' A' ' 22' ' ' VAL . 38.1 t70 -63.76 -50.59 68.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -43.95 64.47 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.344 0.402 . . . . 0.0 111.415 178.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 16' ' ' VAL . 80.7 mt -62.99 -47.01 94.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.689 0.281 . . . . 0.0 110.81 178.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.93 99.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.978 0.418 . . . . 0.0 111.033 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 18' ' ' ASP . 45.4 t -66.18 -37.98 80.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.289 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 33' ' ' SER . 63.5 tp -63.18 -48.3 78.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.21 176.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.92 -35.54 78.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.314 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -61.45 -29.55 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.854 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -89.49 -18.41 26.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.142 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.683 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER 62.58 32.2 16.54 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.665 178.173 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.16 120.91 82.97 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.85 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.88 175.84 3.44 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.767 2.311 . . . . 0.0 112.008 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.78 -20.58 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-O 121.076 0.465 . . . . 0.0 111.135 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.638 ' O ' HG12 ' A' ' 35' ' ' ILE . 2.4 m-20 -68.74 -73.51 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.137 0.494 . . . . 0.0 110.112 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.0 -36.67 70.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.598 -174.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.453 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 20.4 p -63.04 -44.08 96.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.689 0.281 . . . . 0.0 110.95 -177.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.92 -28.87 64.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.056 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 31' ' ' ASP . 24.1 mm -65.15 -48.08 85.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.475 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -60.46 -45.65 92.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.713 177.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 33' ' ' SER . 90.1 mt -63.79 -35.16 79.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.86 -42.08 99.75 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.089 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.99 -41.98 85.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.096 0.474 . . . . 0.0 110.024 177.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.5 ttt -64.45 -46.47 82.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.243 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.46 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.67 -51.21 70.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.467 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 p -65.23 -41.13 94.69 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 120.911 0.386 . . . . 0.0 111.167 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -60.44 -42.56 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.296 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.99 -44.75 75.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 94.4 mt -62.58 -18.62 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 111.595 -177.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.44 ' CG2' HG13 ' B' ' 69' ' ' VAL . 8.9 p -103.98 9.25 36.68 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.071 177.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.8 m -134.77 -47.4 0.74 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -175.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.5 p -91.74 -29.33 16.87 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -169.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.6 m -105.99 152.52 40.33 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.06 123.39 13.73 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.4 2.067 . . . . 0.0 111.705 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -60.0 -21.96 61.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.631 -176.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.6 m -76.45 -26.6 55.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.078 0.466 . . . . 0.0 110.949 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -114.62 7.58 16.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.136 0.493 . . . . 0.0 110.384 -174.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.4 p -58.23 -40.93 82.98 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.394 -175.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' A' ' 59' ' ' GLN . 43.8 tt0 -61.84 -34.96 76.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.667 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.0 69.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.634 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.97 -50.21 74.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.177 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.09 -30.77 70.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.108 0.48 . . . . 0.0 111.24 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.553 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 2.0 tt0 -76.44 -31.26 57.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.44 -178.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.7 -40.56 55.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.52 176.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -57.83 -46.42 84.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.526 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.697 ' O ' HG12 ' A' ' 66' ' ' ILE . 4.1 p -65.97 -45.11 82.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.069 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -55.0 -39.42 69.04 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.695 0.283 . . . . 0.0 111.496 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.0 m -60.88 -44.13 97.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.31 0.576 . . . . 0.0 110.028 176.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . 96.4 mt -65.1 -39.23 92.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.012 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.722 HG13 HE21 ' B' ' 59' ' ' GLN . 28.4 mm -61.61 -37.75 78.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 120.914 0.388 . . . . 0.0 110.426 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.0 -36.36 84.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.519 176.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.24 85.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.191 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' LEU . 51.5 t -63.39 -38.07 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.294 176.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.89 -42.11 79.28 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.6 176.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.2 m -66.06 -32.68 74.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.816 0.341 . . . . 0.0 110.738 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.772 ' NH1' ' HA ' ' B' ' 46' ' ' THR . 24.6 mmm-85 -59.36 -53.65 55.8 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.428 0.633 . . . . 0.0 110.168 173.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.0 mt -67.31 -50.28 60.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.374 -176.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -128.98 100.73 5.77 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.476 0.655 . . . . 0.0 111.832 -175.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -77.28 98.83 5.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.169 174.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -78.84 163.11 25.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.377 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -79.67 87.74 5.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.065 0.46 . . . . 0.0 110.972 -173.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -102.55 95.31 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.586 175.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -166.63 118.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.459 -176.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 75.2 t60 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.248 -0.882 . . . . 0.0 109.705 178.165 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.652 0.263 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.49 89.69 7.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.997 0.427 . . . . 0.0 110.817 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -117.15 -3.21 11.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.576 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -126.27 132.21 51.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.772 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -65.6 112.67 3.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 110.325 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -123.12 13.67 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.403 0.62 . . . . 0.0 110.135 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 60.16 37.74 20.59 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.518 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.403 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 31.4 t -64.26 146.97 53.46 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.822 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.17 -25.94 68.05 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 172.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.47 -31.63 37.28 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.399 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.403 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 49.4 tt0 -70.36 -45.73 65.51 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 109.123 176.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.668 ' O ' HG23 ' B' ' 16' ' ' VAL . 61.5 tp -62.13 -53.6 53.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.858 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 74.5 p -55.9 -38.32 70.06 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.669 0.271 . . . . 0.0 110.845 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.66 -48.72 76.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.371 176.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 67.3 mt -66.56 -48.08 81.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.547 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 12' ' ' LEU . 3.3 t -63.46 -45.49 97.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -69.23 -25.53 64.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.944 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.723 ' O ' HG23 ' B' ' 22' ' ' VAL . 18.7 t0 -70.46 -45.68 65.29 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 177.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 64.6 mtt -57.43 -38.29 74.14 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.005 176.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 16' ' ' VAL . 68.7 mt -61.81 -39.95 85.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.181 176.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.28 75.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.452 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.723 HG23 ' O ' ' B' ' 18' ' ' ASP . 27.6 t -57.21 -49.18 80.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.28 0.562 . . . . 0.0 109.776 175.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.44 -43.45 98.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.751 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -69.41 -26.23 64.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.958 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -64.07 -36.04 82.71 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.155 0.502 . . . . 0.0 110.258 176.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -85.56 -32.76 21.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.221 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.4 tttp 56.62 67.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.829 -168.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -79.57 128.98 73.09 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.021 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.547 ' HD2' ' HB2' ' B' ' 32' ' ' LEU . 31.2 Cg_exo -58.99 160.16 19.34 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.731 2.287 . . . . 0.0 111.711 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 32.7 t -56.71 -31.45 35.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.99 0.424 . . . . 0.0 111.014 -176.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.502 ' O ' HG13 ' B' ' 35' ' ' ILE . 0.5 OUTLIER -76.11 -61.31 1.98 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.333 177.743 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.547 ' HB2' ' HD2' ' B' ' 29' ' ' PRO . 53.4 mt -56.31 -38.84 71.81 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.2 p -62.85 -44.4 96.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.759 0.314 . . . . 0.0 111.416 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.7 -34.21 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.921 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 31' ' ' ASP . 56.2 mt -69.63 -37.2 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.778 0.323 . . . . 0.0 110.405 178.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.429 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -62.36 -46.37 88.97 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 120.855 0.36 . . . . 0.0 110.046 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.17 -42.74 95.61 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.87 -52.56 52.53 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.605 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -58.0 -41.75 83.73 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 111.16 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 45.4 ttp -66.33 -47.58 73.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.74 -46.3 88.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.3 t -59.12 -43.81 91.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.754 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -59.56 -38.77 81.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.81 -44.54 55.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.8 0.333 . . . . 0.0 110.936 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.554 ' HB3' ' SG ' ' B' ' 54' ' ' CYS . 96.6 mt -63.49 -27.77 69.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.446 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.772 ' HA ' ' NH1' ' A' ' 72' ' ' ARG . 33.8 p -94.62 0.76 55.4 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.865 -174.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 22.7 p -122.8 -47.36 2.07 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 11.6 m -100.86 -5.17 26.51 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -170.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.433 HG21 HD23 ' B' ' 45' ' ' LEU . 39.0 t -113.9 128.4 25.8 Favored Pre-proline 0 C--N 1.326 -0.446 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.956 -177.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.66 152.31 13.07 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.363 2.709 . . . . 0.0 112.629 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -52.6 -64.31 0.86 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.436 -173.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 9.7 t -76.35 -22.37 54.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.766 0.317 . . . . 0.0 111.233 -172.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 8.6 tt0 -74.75 -35.65 62.61 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' B' ' 45' ' ' LEU . 34.7 t -56.87 -44.85 82.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.621 -176.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -64.75 -45.32 86.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 111.032 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.04 -30.07 58.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.468 -174.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 10.3 tp -72.15 -41.48 67.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.558 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.08 96.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.545 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.722 HE21 HG13 ' A' ' 66' ' ' ILE . 58.4 mm-40 -66.05 -34.46 78.12 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.05 -44.11 63.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.79 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -61.83 -43.5 98.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.751 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.646 ' O ' HG12 ' B' ' 66' ' ' ILE . 29.4 p -63.6 -53.57 49.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -60.43 -32.8 71.71 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -64.1 -44.04 93.5 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 80.4 mt -67.93 -33.37 74.54 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.646 HG12 ' O ' ' B' ' 62' ' ' SER . 50.9 mm -55.53 -50.19 68.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.011 0.434 . . . . 0.0 110.221 176.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -75.93 -27.21 57.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.742 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.11 -49.44 72.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.44 HG13 ' CG2' ' A' ' 46' ' ' THR . 76.9 t -62.06 -41.98 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.155 175.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' B' ' 70' ' ' LYS . 38.1 ttmt -55.25 -54.0 48.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.193 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.7 m -75.64 -13.81 60.34 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.382 0.611 . . . . 0.0 110.991 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' B' ' 72' ' ' ARG . 23.4 ttt85 -84.11 -28.98 27.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.069 176.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 56.3 tp -83.63 -39.79 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.192 176.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -80.75 77.52 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.569 0.7 . . . . 0.0 110.977 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -74.92 99.09 3.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.781 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -157.97 79.87 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.814 0.34 . . . . 0.0 111.026 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -138.1 103.34 4.92 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 173.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -152.46 16.54 0.61 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.01 0.433 . . . . 0.0 110.256 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -177.28 -35.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 11.4 p80 . . . . . 0 C--O 1.245 0.858 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 173.752 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.889 0.375 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.32 160.08 41.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.201 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.415 ' H ' ' HG2' ' A' ' 3' ' ' GLN . 18.7 pt20 -92.1 131.22 37.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.912 0.387 . . . . 0.0 110.45 176.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -155.42 92.5 1.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.903 -174.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 m -146.8 143.6 28.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.747 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -125.97 -81.19 0.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.425 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -84.95 -81.54 0.19 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.7 m -153.33 93.72 1.74 Allowed 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 174.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -73.05 -12.26 60.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.14 0.495 . . . . 0.0 110.66 -175.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.26 -38.24 31.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 15' ' ' ILE . 20.9 tp60 -62.63 -37.26 85.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.61 172.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.584 ' O ' HG23 ' A' ' 16' ' ' VAL . 41.1 tp -54.85 -52.76 61.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.283 174.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.2 m -55.23 -37.83 67.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.238 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.97 -33.78 76.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 11' ' ' GLN . 71.8 mt -72.34 -45.77 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.979 0.419 . . . . 0.0 110.249 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.7 t -68.17 -36.31 74.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.939 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -60.75 -43.43 97.97 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.161 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.744 ' O ' HG23 ' A' ' 22' ' ' VAL . 31.5 t0 -66.13 -46.37 77.74 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 43.3 ttm -51.22 -44.79 61.72 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.368 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 16' ' ' VAL . 78.3 mt -63.24 -41.98 94.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.758 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.23 -41.38 90.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 18' ' ' ASP . 29.0 t -60.86 -45.98 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.05 177.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 28' ' ' ALA . 56.3 tp -60.34 -47.16 87.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.044 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -66.31 -26.19 67.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.692 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -70.14 -42.75 72.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.388 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -92.78 -2.51 55.9 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 60.46 89.42 0.07 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.261 0.553 . . . . 0.0 112.365 175.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.444 ' HB2' HD13 ' B' ' 15' ' ' ILE . . . -127.99 111.31 20.15 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.017 173.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' HD12 ' A' ' 32' ' ' LEU . 19.2 Cg_endo -60.86 168.06 7.74 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.757 2.304 . . . . 0.0 111.965 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -54.2 -27.64 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 121.02 0.438 . . . . 0.0 111.933 -175.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.536 ' O ' HG13 ' A' ' 35' ' ' ILE . 31.2 t70 -75.03 -61.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.451 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 29' ' ' PRO . 69.5 mt -59.59 -39.54 84.49 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 p -64.58 -40.16 95.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 110.574 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tt -64.76 -35.76 82.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.679 177.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 31' ' ' ASP . 65.6 mt -66.29 -40.62 87.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.711 177.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.528 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -59.99 -50.49 73.54 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 110.514 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.81 -42.69 94.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.741 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.12 -51.59 56.53 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.768 177.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -58.21 -45.45 87.62 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.883 0.373 . . . . 0.0 110.997 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.9 ttt -62.73 -48.02 81.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.842 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.75 84.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.32 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -59.06 -52.89 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.401 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -60.46 -38.05 82.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.162 0.506 . . . . 0.0 111.131 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.49 -52.32 33.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.468 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.63 -27.07 68.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.867 0.365 . . . . 0.0 111.466 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.2 p -92.13 14.18 16.83 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.964 0.411 . . . . 0.0 111.34 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.1 m -136.01 -51.27 0.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.861 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.3 p -81.13 -68.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -170.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.69 143.54 75.67 Favored Pre-proline 0 C--O 1.235 0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.407 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.12 115.54 1.77 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.453 2.769 . . . . 0.0 112.296 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.424 ' HA ' ' HB2' ' A' ' 54' ' ' CYS . 29.2 pt20 -56.7 -34.49 67.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.747 -175.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.7 m -59.54 -33.91 71.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.527 -176.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -122.95 21.43 9.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.872 0.368 . . . . 0.0 110.455 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 51' ' ' GLN . 52.8 t -59.58 -49.09 79.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.627 -175.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -62.39 -31.44 72.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.938 0.399 . . . . 0.0 111.327 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.24 -41.63 66.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.404 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.1 mt -67.87 -36.81 80.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.596 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.25 97.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.716 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -65.97 -35.3 80.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.97 95.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -67.98 -47.01 69.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.65 ' O ' HG12 ' A' ' 66' ' ' ILE . 67.7 p -61.78 -52.8 62.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.049 -177.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -36.9 76.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.691 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.3 m -62.58 -39.22 93.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.278 177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 69' ' ' VAL . 90.9 mt -67.2 -42.62 83.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.323 176.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.65 HG12 ' O ' ' A' ' 62' ' ' SER . 28.2 mm -57.99 -45.83 87.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.239 0.543 . . . . 0.0 110.581 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -79.01 -21.85 46.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.041 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.594 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -67.14 -42.26 84.69 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 174.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 65' ' ' LEU . 95.7 t -59.9 -45.23 95.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.003 175.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HZ2' HG22 ' A' ' 66' ' ' ILE . 63.1 mttp -56.33 -39.2 72.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.906 176.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.1 m -71.14 -23.16 62.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 22.1 mmt180 -80.06 -24.65 40.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.138 0.494 . . . . 0.0 109.939 176.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.4 mt -89.21 -41.02 12.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.611 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.56 157.06 33.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.231 -176.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -121.75 145.39 48.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -112.93 133.99 54.64 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.298 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -124.86 170.33 11.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.534 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.0 t60 65.27 86.12 0.13 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.687 0.617 . . . . 0.0 111.816 169.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -85.07 -24.86 27.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 110.799 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.4 t60 . . . . . 0 C--O 1.245 0.836 0 CA-C-O 118.38 -0.819 . . . . 0.0 110.029 178.942 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 85.9 mmm . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.793 0.33 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.73 144.3 50.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.919 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.838 HE21 ' HA ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -100.34 156.02 17.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' B' ' 3' ' ' GLN . 71.0 m-70 70.7 -74.35 0.09 Allowed 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.783 0.677 . . . . 0.0 110.305 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -85.15 91.41 8.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 176.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -78.89 55.53 1.76 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.078 -175.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 57.91 56.25 4.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.321 -176.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.469 ' HB2' ' HB2' ' B' ' 11' ' ' GLN . 1.2 m -66.35 108.82 2.47 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.72 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -59.76 -18.71 45.3 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 174.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.88 38.49 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.862 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.469 ' HB2' ' HB2' ' B' ' 8' ' ' SER . 14.1 mm100 -68.85 -41.42 78.47 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.394 177.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.726 ' O ' HG23 ' B' ' 16' ' ' VAL . 42.8 tp -60.13 -57.74 11.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.187 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 48.0 m -53.01 -40.95 64.21 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.375 0.422 . . . . 0.0 111.31 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.77 -43.61 98.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.204 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.633 ' HA ' ' OD2' ' B' ' 18' ' ' ASP . 64.1 mt -74.83 -36.92 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.633 -176.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.726 HG23 ' O ' ' B' ' 12' ' ' LEU . 3.2 t -65.46 -33.48 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -72.66 -26.6 61.69 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.946 176.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.633 ' OD2' ' HA ' ' B' ' 15' ' ' ILE . 43.6 m-20 -58.38 -58.35 8.91 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.65 -47.75 63.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.337 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.41 -50.3 73.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.457 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.673 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -67.01 -43.44 82.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -174.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 18' ' ' ASP . 94.2 t -63.6 -43.46 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.747 0.308 . . . . 0.0 110.833 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.72 -30.12 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.807 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -66.01 -38.79 89.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.44 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 39.4 mmtm -63.33 -41.03 98.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.293 -177.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -82.2 -24.33 34.98 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.513 ' NZ ' ' HB2' ' B' ' 27' ' ' LYS . 2.2 ttmp? 58.36 79.53 0.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.85 174.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' B' ' 32' ' ' LEU . . . -90.34 138.97 26.81 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.002 175.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.67 51.48 2.67 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.186 2.591 . . . . 0.0 113.767 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 81.7 t 73.49 -50.72 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 123.083 0.553 . . . . 0.0 112.094 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.556 ' O ' HG13 ' B' ' 35' ' ' ILE . 23.3 m-20 -51.48 -66.07 0.45 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.081 0.467 . . . . 0.0 110.957 -178.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.481 ' HB2' ' HB1' ' B' ' 28' ' ' ALA . 95.4 mt -62.04 -34.71 76.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.144 -177.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -60.62 -45.67 93.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.289 0.566 . . . . 0.0 110.365 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.03 -40.7 71.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.706 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.556 HG13 ' O ' ' B' ' 31' ' ' ASP . 52.5 mt -67.81 -33.95 64.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.906 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.434 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -60.45 -45.99 91.68 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.985 0.421 . . . . 0.0 109.959 174.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.74 -37.22 85.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.497 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.96 -46.29 94.88 Favored Glycine 0 C--N 1.33 0.212 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.316 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -59.09 -42.41 90.38 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.602 0.239 . . . . 0.0 110.634 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 85.8 mmm -62.22 -51.18 68.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.18 -46.52 79.34 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.107 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.2 t -61.82 -54.74 38.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.552 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -57.4 -43.48 83.77 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.385 -175.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 mt -64.89 -43.82 91.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.023 0.44 . . . . 0.0 111.772 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.514 ' HA ' HG22 ' B' ' 49' ' ' VAL . 98.1 mt -80.18 -9.42 59.72 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.701 -175.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.528 HG21 ' HG3' ' A' ' 72' ' ' ARG . 30.0 p -112.73 3.33 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.72 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 10.7 m -140.53 -34.76 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -176.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.7 m -93.85 -50.07 5.53 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.71 -172.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' B' ' 45' ' ' LEU . 34.7 m -89.79 158.94 44.3 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 121.234 -0.186 . . . . 0.0 110.933 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -53.8 128.07 28.1 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.683 2.255 . . . . 0.0 111.925 176.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.423 ' HA ' ' SG ' ' B' ' 54' ' ' CYS . 77.8 mt-30 -74.95 2.15 11.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.997 -173.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 10.8 m -96.08 -32.7 12.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.26 0.553 . . . . 0.0 110.511 174.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -100.47 -9.37 22.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.153 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' B' ' 51' ' ' GLN . 19.6 p -61.53 -48.43 81.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.452 -174.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.504 ' HG3' HG23 ' A' ' 66' ' ' ILE . 39.7 tt0 -61.82 -36.2 80.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.689 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.24 -53.23 39.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.127 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.81 -37.97 89.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.25 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.93 92.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.871 0.367 . . . . 0.0 111.146 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.475 ' NE2' ' HG2' ' B' ' 55' ' ' GLU . 47.6 mt-30 -69.36 -48.23 61.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.615 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.83 85.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.773 0.32 . . . . 0.0 111.573 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -65.11 -49.27 70.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.56 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.598 ' O ' HG12 ' B' ' 66' ' ' ILE . 16.2 p -66.22 -38.7 88.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.141 -178.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -59.21 -43.13 92.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.808 -0.178 . . . . 0.0 111.275 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 95.4 p -64.16 -33.4 75.7 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.624 -0.431 . . . . 0.0 109.936 178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.445 ' O ' HG23 ' B' ' 69' ' ' VAL . 93.7 mt -68.44 -37.72 80.51 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.552 176.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.598 HG12 ' O ' ' B' ' 62' ' ' SER . 39.9 mm -56.92 -48.52 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 121.288 0.566 . . . . 0.0 109.787 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -64.48 -39.39 93.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.575 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' B' ' 72' ' ' ARG . . . -61.91 -47.73 83.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 178.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 65' ' ' LEU . 70.4 t -57.44 -46.88 85.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.832 0.349 . . . . 0.0 110.644 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.18 -34.77 74.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 25.4 m -79.4 -19.85 49.04 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.204 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' B' ' 68' ' ' ALA . 12.3 mmm-85 -81.47 -43.84 18.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 87.0 mt -73.33 -43.88 59.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.616 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 57.13 85.49 0.08 Allowed 'General case' 0 C--N 1.335 -0.061 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.431 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -96.95 113.49 25.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.009 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -85.74 -167.09 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.442 -176.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -58.82 134.76 57.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.105 0.479 . . . . 0.0 111.432 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.49 174.98 3.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.921 178.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -71.79 -39.19 70.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.34 0.59 . . . . 0.0 109.762 -176.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--O 1.244 0.777 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.147 174.849 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.874 0.369 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.55 -40.83 66.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.472 0.654 . . . . 0.0 109.344 173.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -102.31 92.94 4.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.228 -0.897 . . . . 0.0 109.235 177.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -61.96 122.88 16.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.106 0.479 . . . . 0.0 110.748 -178.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -102.65 140.2 37.25 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.55 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -122.37 -121.2 0.28 Allowed 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 166.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -166.81 97.26 0.54 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.315 0.579 . . . . 0.0 110.368 177.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.573 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 47.5 t -120.12 111.49 17.92 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.014 177.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -69.92 -15.64 63.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.14 -45.13 18.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.746 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 14.4 mm100 -72.73 -32.73 65.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.44 176.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.669 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -59.02 -61.25 2.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.591 177.524 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.0 p -56.67 -37.92 71.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.468 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 18' ' ' ASP . . . -57.48 -40.93 79.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.806 0.336 . . . . 0.0 111.021 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.6 mt -74.65 -40.78 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.317 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.4 t -63.32 -45.03 99.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.9 0.381 . . . . 0.0 110.257 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -71.69 -23.46 61.66 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.685 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.758 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.9 t70 -65.87 -51.58 57.57 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 175.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.9 mtt -54.93 -38.51 67.76 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.165 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.94 -45.04 99.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.147 0.498 . . . . 0.0 110.385 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 25' ' ' LYS . . . -64.74 -39.08 93.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.016 177.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 18' ' ' ASP . 39.6 t -66.16 -33.74 65.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.216 177.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.59 -40.32 96.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.092 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -88.34 -12.65 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 111.088 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 35.0 tptt -73.28 -43.48 60.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.585 0.707 . . . . 0.0 109.12 176.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -85.56 -20.68 29.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 171.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.0 tttp 55.85 90.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 113.899 -1.5 . . . . 0.0 112.01 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.441 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -116.52 135.52 22.92 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.88 175.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.801 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 14.1 Cg_exo -69.19 168.49 20.66 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.668 2.245 . . . . 0.0 111.253 176.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.479 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 59.5 t -60.87 -43.05 94.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.761 0.315 . . . . 0.0 111.065 -175.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.444 ' O ' HG13 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -69.76 -51.01 37.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -178.473 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.801 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 4.1 mm? -54.74 -42.74 71.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.679 0.276 . . . . 0.0 110.861 176.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.422 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 34.2 t -61.76 -47.3 85.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.961 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 80.2 mt -62.44 -40.11 95.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.57 0.224 . . . . 0.0 111.333 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 31' ' ' ASP . 60.1 mt -69.43 -39.6 78.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.878 0.371 . . . . 0.0 110.33 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.462 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -62.42 -45.54 92.66 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.377 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 33' ' ' SER . 88.7 mt -61.49 -36.36 80.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.358 177.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.82 -51.68 57.52 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.088 176.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -61.87 -46.33 89.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.04 0.448 . . . . 0.0 110.453 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.0 ttt -61.27 -51.76 67.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.49 -176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.98 75.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.083 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 m -55.72 -48.25 75.49 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.54 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -57.1 -49.28 76.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.22 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HA ' HG22 ' A' ' 47' ' ' THR . 88.0 mt -71.05 -38.58 72.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.356 -176.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.495 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 86.0 mt -71.44 -13.66 61.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.357 -178.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.6 p -105.36 13.26 30.61 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.85 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.415 HG22 ' HA ' ' A' ' 44' ' ' LEU . 11.1 t -134.45 -44.03 0.76 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.342 -0.543 . . . . 0.0 112.412 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.9 t -81.37 -43.44 19.0 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 121.886 -0.509 . . . . 0.0 111.201 -177.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 27.5 m -102.56 149.6 36.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.146 -177.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 49' ' ' VAL . 22.1 Cg_exo -65.81 139.74 58.5 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 123.012 2.475 . . . . 0.0 111.797 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.552 ' HG2' HD11 ' B' ' 73' ' ' LEU . 21.0 mp0 -56.51 -36.46 69.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.276 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.6 t -65.94 -18.92 65.67 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.507 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -107.72 -21.33 12.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.643 0.259 . . . . 0.0 110.641 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 37.0 t -55.08 -53.81 51.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.583 -174.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.738 ' HG3' HG23 ' B' ' 66' ' ' ILE . 41.3 tt0 -58.16 -41.68 84.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.986 0.422 . . . . 0.0 110.795 -178.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.04 -53.73 41.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.111 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mp -66.28 -39.88 89.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.67 -176.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.1 88.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.838 0.352 . . . . 0.0 110.809 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -70.28 -35.58 73.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.439 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.13 89.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.076 0.465 . . . . 0.0 110.185 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.432 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 69.0 t80 -61.85 -38.2 87.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.108 176.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 66' ' ' ILE . 15.9 t -61.79 -52.43 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.75 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -56.49 -36.8 69.54 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.2 m -63.75 -42.0 97.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.254 177.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 69' ' ' VAL . 97.2 mt -65.96 -38.04 87.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.3 177.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.686 HG12 ' O ' ' A' ' 62' ' ' SER . 39.0 mm -59.45 -45.92 93.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.9 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -66.14 -41.16 90.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.733 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.21 92.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.641 HG11 ' HB2' ' B' ' 55' ' ' GLU . 76.1 t -60.27 -49.56 83.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 177.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -59.84 -37.09 78.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.318 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.1 m -59.39 -37.34 77.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.859 0.361 . . . . 0.0 110.816 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.2 mmm-85 -71.98 -41.8 67.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.004 0.431 . . . . 0.0 110.522 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.52 -16.01 62.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -78.23 24.66 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.014 175.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -61.3 99.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 172.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -88.26 118.78 28.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -173.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -135.17 -36.57 0.81 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.549 174.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -84.72 -40.39 17.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.819 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -91.68 121.38 33.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.766 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.2 m80 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.238 -0.887 . . . . 0.0 109.733 179.572 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.938 0.399 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.54 117.08 20.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.64 -177.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -129.58 93.73 3.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.71 0.767 . . . . 0.0 110.584 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -145.41 37.79 1.12 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.3 -0.863 . . . . 0.0 108.719 175.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -53.93 102.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.343 -1.299 . . . . 0.0 112.672 -173.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -133.32 -42.9 0.86 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.706 173.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -122.75 -65.36 1.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.612 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.538 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 46.8 t -162.26 113.79 1.63 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.407 178.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -67.29 -23.52 65.67 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 175.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.43 -45.78 44.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.163 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 15.7 mm100 -66.12 -38.36 87.98 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.646 ' O ' HG23 ' B' ' 16' ' ' VAL . 57.9 tp -56.51 -58.69 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.944 177.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 23.8 p -56.91 -39.9 75.29 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 123.17 0.294 . . . . 0.0 111.419 -175.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.17 83.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 0.0 111.168 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 79.2 mt -69.74 -50.47 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.999 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.6 t -63.65 -42.95 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.974 0.416 . . . . 0.0 110.246 -178.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -53.01 -48.68 67.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.077 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.736 ' O ' HG23 ' B' ' 22' ' ' VAL . 25.9 t0 -63.61 -52.77 59.42 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.167 -177.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 54.4 mtm -55.88 -41.12 73.97 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.204 0.315 . . . . 0.0 111.691 -176.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.8 mt -65.17 -42.44 94.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 120.763 0.315 . . . . 0.0 110.661 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.27 -40.81 86.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.923 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 18' ' ' ASP . 48.2 t -59.61 -45.11 94.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.969 177.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.478 HD11 ' OG ' ' B' ' 33' ' ' SER . 6.2 tt -60.06 -51.43 69.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.243 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.03 -42.84 99.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.195 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -75.98 -18.44 59.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 110.927 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -81.68 -11.39 59.08 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 tttp 64.87 34.18 9.43 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.995 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.45 124.51 80.21 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.497 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.08 155.02 52.68 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.24 1.96 . . . . 0.0 111.554 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.45 -22.45 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -176.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.413 ' O ' HG13 ' B' ' 35' ' ' ILE . 7.3 m-20 -62.04 -69.85 0.23 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.585 0.707 . . . . 0.0 110.449 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.99 -30.52 66.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.163 -174.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.478 ' OG ' HD11 ' B' ' 23' ' ' LEU . 32.8 t -64.72 -40.86 96.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.207 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.61 -43.76 95.96 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.493 ' CG2' HD11 ' A' ' 12' ' ' LEU . 22.7 mt -69.17 -34.39 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.468 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -61.11 -51.93 67.04 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 174.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.4 -38.37 80.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.246 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.42 -53.98 37.76 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.383 177.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -60.2 -40.16 89.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.564 0.221 . . . . 0.0 111.239 178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.492 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 27.1 ttt -67.1 -51.34 55.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.56 69.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.21 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 12.9 p -58.06 -48.05 81.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.749 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -57.7 -40.84 80.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.047 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 40' ' ' MET . 73.4 mt -67.23 -54.64 19.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.007 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mp -68.37 -8.46 40.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -175.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.3 p -106.32 10.64 31.6 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.701 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.3 m -140.37 -45.27 0.41 Allowed 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 54.3 p -85.21 -39.1 18.19 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -171.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 35.9 m -96.4 155.22 38.22 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.496 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.467 ' HG2' ' HG2' ' B' ' 53' ' ' GLN . 11.6 Cg_endo -57.71 121.82 10.68 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.496 2.131 . . . . 0.0 112.209 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.465 ' HA ' ' SG ' ' B' ' 54' ' ' CYS . 11.0 pt20 -59.32 -18.14 35.37 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.659 -178.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 25.8 m -61.56 -37.87 85.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.976 0.417 . . . . 0.0 111.055 177.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.467 ' HG2' ' HG2' ' B' ' 50' ' ' PRO . 4.1 pt20 -119.24 2.71 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.192 -173.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' B' ' 51' ' ' GLN . 27.8 p -59.1 -43.65 91.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.665 -173.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.641 ' HB2' HG11 ' A' ' 69' ' ' VAL . 36.7 tt0 -61.23 -41.19 96.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.713 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.38 93.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.641 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 mp -67.47 -37.01 82.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.302 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.21 89.99 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.216 0.531 . . . . 0.0 110.382 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.36 -49.32 76.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.932 176.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.53 -33.21 75.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.749 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.509 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 86.8 t80 -59.71 -55.05 39.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.021 0.439 . . . . 0.0 110.106 177.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.602 ' O ' HG12 ' B' ' 66' ' ' ILE . 41.7 t -67.86 -36.48 80.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.622 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -57.61 -40.89 80.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.586 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 33.8 t -68.61 -30.32 69.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.124 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.558 ' O ' HG23 ' B' ' 69' ' ' VAL . 87.3 mt -65.01 -48.19 74.83 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 175.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.738 HG23 ' HG3' ' A' ' 55' ' ' GLU . 18.0 mm -53.67 -45.59 60.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.547 0.689 . . . . 0.0 109.871 177.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -65.24 -43.77 90.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.884 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.76 92.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.214 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 65' ' ' LEU . 92.0 t -59.82 -48.92 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.824 178.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -67.75 -31.94 72.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.869 0.366 . . . . 0.0 111.041 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' B' ' 74' ' ' GLU . 41.3 m -70.19 -23.24 62.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.289 0.566 . . . . 0.0 110.259 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -79.68 -27.3 40.8 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.552 HD11 ' HG2' ' A' ' 51' ' ' GLN . 9.2 mp -76.66 -18.03 58.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.437 175.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' B' ' 71' ' ' THR . 7.9 mm-40 -60.27 90.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.774 173.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -75.46 144.68 41.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -73.65 86.08 1.63 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.31 0.576 . . . . 0.0 111.491 -175.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -126.06 6.92 7.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.906 175.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -90.21 112.52 24.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.479 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -92.8 -25.36 18.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.193 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 4.4 t60 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.5 -0.762 . . . . 0.0 110.192 -177.393 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.956 0.408 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.45 141.81 12.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.463 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -108.08 170.28 8.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.572 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -117.95 45.23 2.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.105 0.478 . . . . 0.0 110.425 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 p -179.35 -88.39 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.086 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -148.47 -69.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -100.96 -73.04 0.66 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 169.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.492 ' HB2' ' CG ' ' A' ' 11' ' ' GLN . 66.3 m -159.28 126.31 4.69 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.89 -28.89 66.58 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.2 -39.2 75.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.085 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.492 ' CG ' ' HB2' ' A' ' 8' ' ' SER . 67.0 mm-40 -65.32 -49.53 69.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.107 177.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 16' ' ' VAL . 56.8 tp -60.31 -57.11 14.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.033 -177.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.5 p -54.86 -39.44 68.63 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.01 79.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.719 0.295 . . . . 0.0 110.956 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.31 -46.55 96.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.443 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.7 t -70.91 -33.94 53.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.182 0.515 . . . . 0.0 109.811 -176.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.35 -29.45 67.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.441 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.759 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 m-20 -63.88 -46.02 86.79 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.2 mtt -56.48 -39.23 72.89 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.898 0.749 . . . . 0.0 110.761 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.7 mt -61.44 -43.65 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.71 86.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 18' ' ' ASP . 44.6 t -58.39 -42.56 84.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 121.21 0.529 . . . . 0.0 110.117 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.74 -44.01 93.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.881 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -72.47 -42.98 64.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.446 -176.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.04 -41.98 94.74 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -176.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -85.82 -11.26 53.86 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.658 -0.417 . . . . 0.0 109.961 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.945 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER 63.96 87.17 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.204 179.02 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.511 ' HB2' HD13 ' B' ' 15' ' ' ILE . . . -130.94 132.57 23.97 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.506 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.716 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 7.5 Cg_exo -71.27 166.0 30.66 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.595 2.196 . . . . 0.0 111.38 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 29.7 m -64.21 -16.72 19.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.543 ' O ' HG13 ' A' ' 35' ' ' ILE . 12.0 p-10 -90.08 -45.67 8.99 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.493 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.716 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 40.2 mt -65.51 -42.36 92.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.626 0.25 . . . . 0.0 111.291 177.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.3 p -64.86 -31.95 73.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.948 0.404 . . . . 0.0 110.516 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.55 HD12 HD12 ' A' ' 37' ' ' LEU . 13.8 tp -65.69 -36.48 83.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.938 177.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 31' ' ' ASP . 56.2 mt -69.03 -36.78 75.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.342 177.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -59.9 -41.33 91.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.83 0.347 . . . . 0.0 110.258 174.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.55 HD12 HD12 ' A' ' 34' ' ' LEU . 95.9 mt -58.73 -42.63 89.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.419 176.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.91 -43.27 94.07 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.622 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -60.8 -44.12 97.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 0.0 110.477 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.4 tpt -66.42 -47.61 72.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.661 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -52.78 -53.93 41.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.564 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 p -61.87 -44.45 96.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.832 0.349 . . . . 0.0 111.374 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -66.88 -36.71 82.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.753 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.6 -42.49 74.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.528 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 95.5 mt -65.69 -25.86 67.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.9 p -93.8 15.99 15.22 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.752 0.31 . . . . 0.0 111.342 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.7 m -132.54 -51.39 0.93 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 p -88.97 -21.38 23.57 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -169.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.5 138.71 27.72 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.378 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -49.12 145.65 14.07 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.603 2.869 . . . . 0.0 112.499 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.473 ' H ' ' NE2' ' A' ' 51' ' ' GLN . 1.4 mp0 -56.49 -54.17 48.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.009 -172.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 t -64.93 -24.13 67.43 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -174.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -94.64 -12.69 26.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.679 0.276 . . . . 0.0 111.08 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 37.4 t -59.04 -48.1 82.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.574 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.84 -35.69 75.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.254 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.08 -52.08 13.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.454 -176.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.15 -38.95 89.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.411 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.93 92.81 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.383 177.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -65.33 -50.48 65.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.02 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.13 -47.78 84.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.428 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -56.09 -49.97 72.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.425 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.516 ' O ' HG12 ' A' ' 66' ' ' ILE . 19.4 m -61.98 -47.92 82.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.201 -179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -64.1 -34.32 77.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.5 p -68.36 -28.32 67.02 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.255 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' B' ' 42' ' ' SER . 83.3 mt -72.52 -36.01 68.22 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.289 174.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.516 HG12 ' O ' ' A' ' 62' ' ' SER . 23.7 mm -61.04 -39.12 81.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -59.46 -42.95 93.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.921 175.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 72' ' ' ARG . . . -62.55 -42.09 99.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.737 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 65' ' ' LEU . 87.2 t -56.49 -51.05 69.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.243 175.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -57.59 -47.99 80.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.93 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.8 m -62.63 -42.71 99.75 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 68' ' ' ALA . 57.0 mtp180 -65.04 -44.01 90.47 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.198 -177.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 73' ' ' LEU . 3.9 mm? -77.46 -43.71 31.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.875 0.369 . . . . 0.0 110.919 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -98.68 44.35 1.03 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.724 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -59.88 107.11 0.57 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.513 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -100.85 121.17 41.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.495 -175.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -122.44 169.72 10.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.352 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 14.8 t-80 -145.32 21.34 1.54 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 78' ' ' HIS . 62.6 m-70 66.56 -72.15 0.09 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.078 -171.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.1 p80 . . . . . 0 C--O 1.248 0.984 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.006 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.1 ttp . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.98 168.05 0.31 Allowed 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.788 0.68 . . . . 0.0 111.758 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -121.96 126.49 48.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.009 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -76.22 52.61 0.76 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.376 0.608 . . . . 0.0 111.843 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -81.19 57.43 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.216 0.531 . . . . 0.0 110.636 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -85.44 -1.61 57.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.828 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 62.61 79.39 0.26 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.654 -174.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.551 ' HB3' ' HB3' ' B' ' 11' ' ' GLN . 44.8 t -80.74 112.65 18.3 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.728 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -67.13 -12.46 60.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.79 -49.18 9.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.038 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.551 ' HB3' ' HB3' ' B' ' 8' ' ' SER . 7.2 tp60 -59.2 -43.61 92.26 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.446 174.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 16' ' ' VAL . 60.3 tp -57.06 -57.14 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.974 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 71.2 p -56.69 -36.48 69.67 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.19 0.306 . . . . 0.0 111.533 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.04 98.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.765 0.317 . . . . 0.0 110.516 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.511 HD13 ' HB2' ' A' ' 28' ' ' ALA . 74.8 mt -67.26 -38.99 82.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.812 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.5 t -67.86 -35.13 71.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.128 0.49 . . . . 0.0 109.754 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -68.94 -31.81 70.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.607 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -58.78 -43.61 90.5 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.407 ' HE1' HD23 ' A' ' 37' ' ' LEU . 82.2 mtp -57.53 -47.02 83.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.675 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.66 -45.64 98.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.345 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' B' ' 25' ' ' LYS . . . -60.61 -54.61 43.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.458 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 32.3 m -64.52 -30.01 48.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.099 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.14 -44.05 85.28 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -71.78 -17.51 62.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.45 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 34.0 mmtp -84.7 -16.15 42.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 0.0 111.068 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -101.12 -32.99 10.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.159 177.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.21 80.07 0.19 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.166 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.48 138.52 19.91 Favored Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -73.28 42.92 0.68 Allowed 'Trans proline' 0 N--CA 1.477 0.504 0 C-N-CA 123.282 2.655 . . . . 0.0 113.804 -173.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t 71.61 -47.0 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.526 0.731 . . . . 0.0 111.585 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.537 ' O ' HG13 ' B' ' 35' ' ' ILE . 36.4 m-20 -51.07 -66.24 0.42 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.062 0.458 . . . . 0.0 110.86 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.8 -31.25 71.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.277 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -61.76 -45.44 93.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.171 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.78 -40.2 76.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.95 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 31' ' ' ASP . 59.3 mt -63.71 -44.39 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.013 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.88 86.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.721 0.296 . . . . 0.0 110.737 177.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.29 -40.23 95.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.421 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.06 -48.11 83.01 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.544 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.24 -46.8 87.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.626 0.251 . . . . 0.0 110.758 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.448 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 13.6 tpt -63.74 -47.91 79.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.77 -52.1 66.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.499 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.645 ' HB3' HD22 ' A' ' 65' ' ' LEU . 24.0 p -63.55 -44.57 93.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.135 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -55.42 -50.85 68.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 40' ' ' MET . 68.2 mt -63.8 -42.65 97.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.259 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.85 -13.28 61.25 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 21.1 p -112.66 10.44 19.4 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.456 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 19.0 m -136.81 -41.54 0.6 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.4 m -89.17 -35.69 16.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -171.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.571 HG23 ' HB3' ' B' ' 54' ' ' CYS . 15.6 m -109.7 160.11 29.14 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.172 -176.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.538 ' HG2' ' HB2' ' B' ' 53' ' ' GLN . 6.6 Cg_endo -49.94 128.16 21.17 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.542 2.828 . . . . 0.0 112.518 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.553 ' HG3' HG23 ' B' ' 52' ' ' THR . 24.7 pt20 -61.66 -25.19 67.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -170.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . 0.553 HG23 ' HG3' ' B' ' 51' ' ' GLN . 41.0 p -100.11 -19.82 16.3 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.534 0.683 . . . . 0.0 111.219 -176.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.538 ' HB2' ' HG2' ' B' ' 50' ' ' PRO . 16.5 mm100 -97.89 -10.61 24.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.538 -178.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . 0.571 ' HB3' HG23 ' B' ' 49' ' ' VAL . 29.4 p -80.08 -37.75 33.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.185 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.58 -40.45 94.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.135 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.09 83.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.843 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.37 -35.32 73.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.295 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.71 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.067 0.461 . . . . 0.0 110.582 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -71.01 -37.69 72.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.06 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.87 -34.38 73.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 110.636 176.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.87 -47.02 87.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.484 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.623 ' O ' HG12 ' B' ' 66' ' ' ILE . 0.7 OUTLIER -64.49 -44.5 90.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.56 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -51.15 -48.47 61.85 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.004 0.431 . . . . 0.0 110.282 174.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -60.26 -36.71 78.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.852 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.46 ' O ' HG23 ' B' ' 69' ' ' VAL . 88.3 mt -64.53 -46.68 81.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.746 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.623 HG12 ' O ' ' B' ' 62' ' ' SER . 6.1 mm -60.49 -42.01 89.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.427 0.632 . . . . 0.0 109.699 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -68.36 -40.22 81.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.896 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.55 92.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.98 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 65' ' ' LEU . 74.8 t -59.62 -46.97 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.774 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.04 -33.62 76.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.5 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 26.3 m -76.41 -29.3 57.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.08 0.467 . . . . 0.0 110.739 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' B' ' 72' ' ' ARG . 3.6 tpm_? -65.98 -50.97 62.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.626 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.85 -32.35 52.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.84 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' B' ' 75' ' ' HIS . 0.0 OUTLIER 66.83 -167.19 0.21 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.375 178.579 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.453 ' H ' ' CD ' ' B' ' 74' ' ' GLU . 23.8 m80 -136.76 146.72 46.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.097 -174.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 53.32 72.83 0.4 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.562 0.539 . . . . 0.0 110.468 174.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -127.59 -5.95 5.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.925 -169.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -150.85 147.89 27.8 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.769 -176.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . 0.508 ' O ' ' HB3' ' B' ' 80' ' ' HIS . 62.4 t-80 76.15 -44.47 0.5 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.968 171.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' B' ' 79' ' ' HIS . 34.3 t60 . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.252 -0.88 . . . . 0.0 108.695 -166.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.647 0.261 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.51 122.53 47.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.848 0.356 . . . . 0.0 111.096 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -77.46 160.96 28.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.058 176.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -104.87 103.7 13.33 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -172.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -76.7 100.56 5.45 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 171.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -83.46 -74.62 0.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.739 -171.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -139.59 87.28 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.326 0.584 . . . . 0.0 111.038 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.3 m -120.49 123.58 43.3 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.391 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -65.34 -20.5 66.42 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.73 -38.76 67.34 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.265 175.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.502 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.5 tp-100 -68.99 -45.05 71.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.113 176.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.651 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.9 tm? -54.64 -52.5 62.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.269 177.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.8 m -57.56 -41.85 81.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.195 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.08 -36.12 80.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.085 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 11' ' ' GLN . 80.5 mt -69.65 -50.96 45.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.2 t -65.1 -41.21 91.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.916 0.388 . . . . 0.0 110.502 -176.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -68.25 -29.78 68.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.243 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.678 ' O ' HG23 ' A' ' 22' ' ' VAL . 18.8 t0 -68.91 -49.5 57.59 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.0 mtt -50.74 -50.59 55.22 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.013 0.435 . . . . 0.0 110.787 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.13 -47.05 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.579 ' O ' ' HE2' ' A' ' 25' ' ' LYS . . . -63.27 -46.01 88.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.606 0.241 . . . . 0.0 111.418 -177.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 18' ' ' ASP . 49.1 t -62.75 -42.57 96.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.857 0.36 . . . . 0.0 110.22 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 tp -63.96 -43.42 95.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.078 0.466 . . . . 0.0 110.116 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -59.76 -37.28 78.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.135 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HE2' ' O ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -71.27 -13.64 61.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.707 -177.327 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -101.5 -31.31 10.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 171.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt 65.5 93.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.246 -174.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.473 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -102.65 139.33 20.08 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.067 177.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 17.3 Cg_exo -66.66 152.78 79.97 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.641 2.227 . . . . 0.0 111.347 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.413 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 39.2 t -57.87 -31.43 40.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 123.515 0.509 . . . . 0.0 111.342 -175.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.56 ' O ' HG13 ' A' ' 35' ' ' ILE . 35.3 t70 -74.03 -49.96 21.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.028 0.442 . . . . 0.0 110.324 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.526 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 74.2 mt -68.52 -35.65 77.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.864 -177.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.8 p -62.87 -39.83 95.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 0.0 110.613 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 84.8 mt -66.79 -36.39 82.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 31' ' ' ASP . 51.4 mt -67.8 -47.0 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.636 0.255 . . . . 0.0 110.412 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.481 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -58.15 -46.46 85.63 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.463 177.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.59 -41.25 88.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.594 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.88 -50.39 66.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.407 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -60.66 -40.21 91.21 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.895 0.379 . . . . 0.0 110.6 178.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.402 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 27.7 ttt -69.26 -48.03 62.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -178.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.92 -48.34 80.18 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 m -58.52 -47.73 83.19 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.959 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -60.47 -49.04 79.17 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.245 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 40' ' ' MET . 80.8 mt -63.74 -34.9 78.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 111.238 -178.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' HA ' HG12 ' A' ' 49' ' ' VAL . 89.5 mt -76.69 -14.12 59.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.329 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.404 ' CG2' HG13 ' B' ' 69' ' ' VAL . 5.7 p -104.04 -5.19 22.38 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.25 -0.58 . . . . 0.0 112.342 176.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.3 p -130.41 -39.1 1.33 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.2 m -92.11 -42.34 9.98 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.205 -0.31 . . . . 0.0 111.834 -169.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 45' ' ' LEU . 8.9 p -85.13 139.34 36.63 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 175.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -37.04 105.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.69 2.927 . . . . 0.0 113.532 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.544 ' HA ' ' HB2' ' A' ' 54' ' ' CYS . 4.4 pt20 -72.92 -13.2 61.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.998 -173.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.494 HG23 ' HG3' ' A' ' 53' ' ' GLN . 10.5 t -71.58 -9.72 58.66 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.439 0.638 . . . . 0.0 110.078 175.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.494 ' HG3' HG23 ' A' ' 52' ' ' THR . 25.6 mt-30 -136.23 23.34 3.24 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 51' ' ' GLN . 53.1 t -50.93 -55.43 17.24 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.009 -173.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -59.74 -45.31 92.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 111.058 -176.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.18 -49.44 74.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.157 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.8 mt -70.79 -38.62 73.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.586 -174.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.76 98.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.21 0.528 . . . . 0.0 111.037 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -76.09 -30.08 58.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.971 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.45 -48.69 74.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.269 174.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -54.78 -45.56 74.29 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.046 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.635 ' O ' HG12 ' A' ' 66' ' ' ILE . 55.9 m -57.79 -57.76 11.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.088 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -58.2 -42.94 87.24 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.2 m -70.01 -30.17 67.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.832 0.348 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.7 tp -67.93 -39.33 83.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.134 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.635 HG12 ' O ' ' A' ' 62' ' ' SER . 26.4 mm -58.59 -49.1 83.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.032 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -63.61 -35.3 80.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.768 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.5 92.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.59 177.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 88.4 t -62.5 -45.33 99.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.784 177.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 66' ' ' ILE . 30.7 mtpp -58.58 -46.06 87.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.713 178.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.1 m -66.88 -31.66 72.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.068 0.461 . . . . 0.0 111.092 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 8.8 tpm_? -58.0 -45.94 86.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.964 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 tt -89.66 -51.09 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.664 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -73.31 126.41 30.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.919 0.39 . . . . 0.0 111.662 -168.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -124.3 6.63 8.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -72.97 101.5 3.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.031 0.443 . . . . 0.0 110.151 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -91.11 86.43 6.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.484 -177.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -176.08 110.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -80.48 28.43 0.32 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -172.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.2 t60 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.27 -0.871 . . . . 0.0 109.068 172.439 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.612 0.244 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.1 121.13 21.04 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.231 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -93.85 -73.35 0.57 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.346 0.594 . . . . 0.0 110.478 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -129.59 -165.56 1.54 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.173 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 17.8 p -62.63 125.37 23.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.165 0.507 . . . . 0.0 111.894 -175.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -103.62 12.05 35.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.932 174.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -83.57 44.07 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.175 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.8 m -86.88 142.22 28.2 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.151 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.58 -29.51 66.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.28 -35.76 71.44 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.077 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -75.83 -41.65 51.96 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.195 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.69 ' O ' HG23 ' B' ' 16' ' ' VAL . 50.5 tp -59.29 -56.69 18.88 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.277 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 42.0 m -56.23 -36.45 68.49 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.885 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.39 -46.04 83.88 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.869 0.366 . . . . 0.0 110.847 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 71.9 mt -70.01 -48.71 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.052 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.6 t -63.45 -44.51 98.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.715 -177.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -64.56 -38.85 92.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.911 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.787 ' O ' HG23 ' B' ' 22' ' ' VAL . 30.3 t70 -65.43 -47.19 77.06 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 51.4 tpp -54.57 -42.1 70.63 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.415 0.447 . . . . 0.0 110.839 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.63 -46.11 95.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.585 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.49 90.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.787 HG23 ' O ' ' B' ' 18' ' ' ASP . 46.3 t -64.88 -41.4 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.133 0.492 . . . . 0.0 110.02 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 66.9 tp -62.63 -35.99 81.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.601 176.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -75.69 -30.86 59.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.714 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 tppp? -62.82 -48.82 77.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.906 177.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -79.07 -25.72 43.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.257 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.433 ' HE2' ' HB2' ' B' ' 27' ' ' LYS . 18.1 ttmm 57.51 81.87 0.13 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.689 -1.142 . . . . 0.0 111.647 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.23 134.53 20.28 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.08 175.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -68.77 160.74 48.36 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.19 1.927 . . . . 0.0 111.374 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 p -57.1 -26.4 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 120.834 0.35 . . . . 0.0 110.865 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.18 -68.61 0.26 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.708 0.766 . . . . 0.0 110.28 176.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.38 -32.05 69.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.353 -175.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 31.5 t -64.48 -36.07 82.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.649 0.261 . . . . 0.0 110.482 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 tp -67.84 -43.11 80.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.984 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.67 -43.57 98.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.634 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.463 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -57.11 -51.42 69.38 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.014 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.13 -37.4 85.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.598 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.63 -46.96 93.14 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.26 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.46 -43.98 72.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.67 0.272 . . . . 0.0 110.455 178.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 26.8 ttt -58.99 -47.31 85.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.948 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.23 90.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -62.75 -50.93 69.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.692 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.539 ' O ' HG22 ' B' ' 47' ' ' THR . 5.3 m-20 -55.2 -42.25 73.03 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.382 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.79 -52.83 39.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.761 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.649 HD13 ' HA ' ' B' ' 58' ' ' ALA . 96.0 mt -68.74 -5.68 21.97 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -174.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 12.5 p -103.47 -12.1 17.37 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.539 HG22 ' O ' ' B' ' 43' ' ' ASN . 11.3 t -137.95 -19.91 1.14 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -175.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 93.5 p -91.49 -3.25 56.76 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 118.475 0.58 . . . . 0.0 110.862 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.7 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 34.9 m -128.75 178.54 1.62 Allowed Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.16 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.7 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 72.4 Cg_exo -50.32 111.44 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 121.938 1.758 . . . . 0.0 111.321 171.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -64.74 -29.94 70.94 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -171.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 10.0 t -81.02 -6.9 59.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.226 0.536 . . . . 0.0 110.115 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.675 ' HB2' ' HB2' ' B' ' 50' ' ' PRO . 27.6 mt-30 -119.37 20.19 12.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.913 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 p -53.89 -46.3 71.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.864 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.24 -26.39 62.89 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.895 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.65 -42.97 63.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.866 0.365 . . . . 0.0 110.338 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.502 ' HG ' ' HB ' ' B' ' 49' ' ' VAL . 4.4 mm? -66.78 -32.5 73.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.279 176.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.649 ' HA ' HD13 ' B' ' 45' ' ' LEU . . . -62.86 -43.98 97.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.437 175.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -63.08 -40.62 98.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.454 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.11 -44.31 96.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.642 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -63.89 -41.37 97.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.878 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.669 ' O ' HG12 ' B' ' 66' ' ' ILE . 47.8 t -57.31 -56.52 20.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.727 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -55.48 -37.44 67.81 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.444 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 29.5 m -64.21 -40.92 97.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.396 177.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.73 -40.93 84.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.669 HG12 ' O ' ' B' ' 62' ' ' SER . 27.7 mm -57.63 -45.55 86.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.075 0.464 . . . . 0.0 110.057 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.539 ' HA ' ' HE2' ' B' ' 70' ' ' LYS . 34.4 m-80 -69.09 -34.8 75.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.144 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.09 -51.97 53.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.847 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.404 HG13 ' CG2' ' A' ' 46' ' ' THR . 73.9 t -58.49 -44.09 88.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.544 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' B' ' 67' ' ' ASN . 37.6 ttpt -56.43 -51.65 67.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.165 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 15.2 m -73.09 -25.97 61.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.854 0.359 . . . . 0.0 111.486 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 72' ' ' ARG . 0.7 OUTLIER -68.89 -42.78 76.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.091 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 54.2 tp -84.44 -47.78 10.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.19 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -88.06 107.32 18.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.068 0.461 . . . . 0.0 110.181 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -92.44 -1.05 57.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.291 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -87.94 82.78 7.16 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -143.1 78.81 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.201 0.524 . . . . 0.0 110.741 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 68.87 146.22 0.05 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 114.94 -1.027 . . . . 0.0 112.181 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -133.88 134.22 42.44 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.408 175.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.505 -0.759 . . . . 0.0 110.131 -176.862 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.95 27.97 8.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.209 0.528 . . . . 0.0 110.542 -175.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -67.29 -18.43 65.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.622 -177.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -88.26 15.21 7.95 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.611 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -92.91 15.11 15.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.979 0.418 . . . . 0.0 110.856 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -86.13 50.57 2.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.134 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 59.1 t80 62.47 81.84 0.19 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.499 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.531 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 28.5 t -111.52 136.33 50.84 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.408 -178.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -66.14 -23.82 66.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.17 -32.51 29.93 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.579 178.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.531 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 58.2 tt0 -68.36 -41.45 80.63 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.303 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.7 tp -54.1 -56.32 19.24 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.912 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.956 ' HA ' HG12 ' A' ' 16' ' ' VAL . 4.4 p -74.29 -21.31 59.8 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 120.338 -0.545 . . . . 0.0 112.176 -174.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.76 85.76 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 171.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.1 mt -70.58 -54.69 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.428 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.956 HG12 ' HA ' ' A' ' 13' ' ' SER . 7.8 p -70.48 -31.94 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.477 -0.489 . . . . 0.0 112.136 -174.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.516 ' HB3' ' O ' ' A' ' 13' ' ' SER . 7.5 t30 -75.53 -29.79 59.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.135 -0.353 . . . . 0.0 110.319 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.765 ' O ' HG23 ' A' ' 22' ' ' VAL . 37.5 t70 -71.98 -39.52 69.23 Favored 'General case' 0 C--O 1.214 -0.803 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 173.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.3 ttm -54.01 -44.94 71.35 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.725 0.64 . . . . 0.0 111.06 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 16' ' ' VAL . 73.5 mt -62.51 -39.28 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.298 176.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 25' ' ' LYS . . . -65.55 -36.62 84.33 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.673 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 18' ' ' ASP . 44.4 t -63.91 -38.0 81.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.014 0.435 . . . . 0.0 110.434 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 tt -60.15 -50.08 75.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.862 176.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.52 -17.27 61.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.398 0.618 . . . . 0.0 110.756 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 23.4 tptp -77.54 -37.46 50.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.663 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -84.61 -18.24 36.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.574 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm 62.97 37.81 11.56 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.732 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.52 142.06 23.96 Favored Pre-proline 0 N--CA 1.446 -0.659 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.81 158.25 51.91 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.249 1.966 . . . . 0.0 112.018 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 12.7 p -55.35 -26.77 19.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.033 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' O ' HG13 ' A' ' 35' ' ' ILE . 4.1 m-20 -63.54 -66.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.319 0.58 . . . . 0.0 110.549 178.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.51 -38.79 87.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.288 -173.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.9 m -69.14 -27.75 65.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.981 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 4.2 tt -74.17 -35.96 64.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 31' ' ' ASP . 57.6 mt -61.08 -37.77 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.244 176.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.465 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.24 -44.42 95.26 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.137 0.494 . . . . 0.0 110.294 175.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.96 -43.15 95.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.285 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.34 -42.93 99.7 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.476 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -58.81 -44.1 90.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.853 0.359 . . . . 0.0 110.671 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.8 ttt -73.81 -39.99 63.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -177.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.59 -49.35 77.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.29 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 p -64.72 -43.37 93.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.087 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -57.17 -46.25 82.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.44 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.9 mt -71.3 -42.66 68.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.663 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.466 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 88.6 mt -72.94 -11.97 60.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.84 -174.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.516 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 16.8 p -98.37 -22.33 16.13 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.366 177.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.8 p -97.31 -49.59 4.88 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -103.58 23.89 11.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.766 0.317 . . . . 0.0 111.148 -172.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.466 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 5.9 p -76.89 116.11 54.19 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.014 0.435 . . . . 0.0 111.334 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.531 ' HD2' ' CB ' ' A' ' 54' ' ' CYS . 16.7 Cg_exo -67.85 -23.83 40.95 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.57 2.18 . . . . 0.0 111.858 176.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 70.83 -57.13 0.6 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.232 1.013 . . . . 0.0 112.029 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 p -42.11 -54.09 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 124.172 0.92 . . . . 0.0 112.908 -171.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -115.34 -13.39 11.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.33 0.586 . . . . 0.0 110.365 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.531 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 41.9 t -70.64 -36.2 73.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.517 -173.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.75 -41.49 95.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.169 0.509 . . . . 0.0 109.817 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.69 -52.68 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.846 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.85 -32.7 73.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.57 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.16 -49.98 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.945 0.402 . . . . 0.0 110.343 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.656 HE21 HG13 ' B' ' 66' ' ' ILE . 46.5 mm-40 -66.12 -33.82 76.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 177.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.13 -50.2 64.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.837 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -63.88 -38.57 91.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.116 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.595 ' O ' HG12 ' A' ' 66' ' ' ILE . 36.1 t -54.98 -57.97 9.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.212 176.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -63.4 -26.9 68.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.699 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.3 m -63.04 -42.52 99.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.77 -41.46 83.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.242 176.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.595 HG12 ' O ' ' A' ' 62' ' ' SER . 30.3 mm -57.02 -49.22 80.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.611 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -67.88 -30.45 69.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.59 -46.64 78.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.85 0.357 . . . . 0.0 110.22 176.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.79 -43.37 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.274 176.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' HG2' ' OE2' ' A' ' 74' ' ' GLU . 22.5 ttpp -52.34 -55.4 21.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.266 176.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.2 m -61.86 -32.62 72.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.136 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -68.05 -35.66 78.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 0.0 110.848 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 73' ' ' LEU . 4.1 mm? -83.25 -19.46 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.234 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.465 ' OE2' ' HG2' ' A' ' 70' ' ' LYS . 45.5 mt-10 -84.23 -52.27 6.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.288 0.566 . . . . 0.0 110.688 175.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -97.45 115.17 27.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.477 -173.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -122.06 -55.32 1.88 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.337 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -130.91 107.79 9.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -111.48 138.23 48.27 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 172.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -64.19 -84.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.875 0.369 . . . . 0.0 111.044 -176.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.9 m170 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.349 -0.834 . . . . 0.0 109.609 176.706 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.728 0.299 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.49 10.86 35.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.335 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -106.67 111.82 24.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -138.91 135.05 34.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.003 0.43 . . . . 0.0 110.436 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.413 ' C ' ' H ' ' B' ' 7' ' ' TYR . 77.9 p -116.72 159.03 22.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.346 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt 73.4 -30.6 0.21 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.503 0.721 . . . . 0.0 111.891 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.413 ' H ' ' C ' ' B' ' 5' ' ' SER . 10.3 t80 -80.66 57.26 2.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.404 0.621 . . . . 0.0 109.554 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m -103.81 146.37 28.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.61 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.01 -28.01 69.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.4 -32.27 60.7 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.684 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.54 ' O ' HG13 ' B' ' 15' ' ' ILE . 7.9 tp-100 -71.78 -44.54 63.82 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.638 178.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.643 ' O ' HG23 ' B' ' 16' ' ' VAL . 61.2 tp -55.09 -53.55 54.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.784 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -57.21 -41.96 80.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.985 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.17 85.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.888 0.375 . . . . 0.0 111.032 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.54 HG13 ' O ' ' B' ' 11' ' ' GLN . 80.9 mt -67.37 -51.31 53.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.194 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 12' ' ' LEU . 1.9 t -66.01 -41.56 89.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 110.53 -176.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -63.58 -38.76 92.34 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.591 -177.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.719 ' O ' HG23 ' B' ' 22' ' ' VAL . 30.0 t70 -70.08 -45.59 66.69 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 6.5 mmm -52.23 -46.03 65.53 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.359 0.412 . . . . 0.0 111.566 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.5 -43.87 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 0.0 110.395 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -66.33 -35.41 80.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.277 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.719 HG23 ' O ' ' B' ' 18' ' ' ASP . 67.8 t -56.87 -47.06 83.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.035 0.445 . . . . 0.0 110.534 177.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 61.1 mt -77.42 -28.84 52.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.126 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.64 -36.56 81.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.074 0.464 . . . . 0.0 110.732 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 58.7 mttp -63.19 -30.94 71.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.927 -178.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -102.38 -11.35 18.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.791 0.329 . . . . 0.0 110.527 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt 62.91 96.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.277 -174.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' B' ' 33' ' ' SER . . . -90.56 109.09 31.68 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 172.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.403 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 73.5 Cg_endo -75.54 36.62 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.13 2.553 . . . . 0.0 113.656 -173.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' B' ' 29' ' ' PRO . 90.8 t 73.52 -50.9 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 123.215 0.606 . . . . 0.0 111.472 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.528 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.5 m-20 -51.91 -70.31 0.09 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.164 0.507 . . . . 0.0 110.775 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.22 -29.89 69.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.263 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.588 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 25.5 t -63.93 -54.04 40.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.403 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.08 -30.91 71.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.522 -176.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.528 HG13 ' O ' ' B' ' 31' ' ' ASP . 47.5 mt -70.51 -49.1 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.133 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.402 ' CB ' ' HB ' ' A' ' 16' ' ' VAL . . . -55.06 -50.14 69.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.633 0.254 . . . . 0.0 111.147 172.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 33' ' ' SER . 82.0 mt -59.9 -40.32 88.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.477 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.65 -46.03 86.14 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.158 177.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -52.59 -50.15 63.59 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.127 0.489 . . . . 0.0 110.123 175.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 12.9 tpt -65.02 -49.93 68.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.141 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.09 -46.66 85.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.383 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.5 m -56.88 -51.76 67.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.881 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -62.53 -40.34 96.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.732 -176.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.65 -50.69 56.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.576 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.54 -15.22 63.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.755 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.0 p -101.13 -4.76 26.7 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.914 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 27.2 m -118.22 -39.12 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.739 0.304 . . . . 0.0 111.466 -177.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -93.23 17.66 10.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.995 0.426 . . . . 0.0 110.954 -176.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.878 HG23 ' HB3' ' B' ' 54' ' ' CYS . 4.2 p -92.51 115.13 64.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -178.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' B' ' 49' ' ' VAL . 22.3 Cg_endo -64.82 -54.48 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.266 1.977 . . . . 0.0 110.742 173.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -179.75 -87.12 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.754 172.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 38.5 m -87.21 -32.69 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.93 -171.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -55.47 -45.73 76.92 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.273 0.558 . . . . 0.0 110.242 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . 0.878 ' HB3' HG23 ' B' ' 49' ' ' VAL . 47.7 t -79.8 -34.45 39.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.147 -178.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.08 -55.3 36.76 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.914 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.42 69.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.302 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.88 -34.78 78.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.716 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.9 -50.43 72.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.696 0.284 . . . . 0.0 110.655 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.88 -47.58 84.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.39 -49.71 76.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.529 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.544 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 73.7 t80 -62.73 -43.49 98.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.799 -178.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.408 ' O ' HG12 ' B' ' 66' ' ' ILE . 25.0 t -61.32 -48.61 80.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.702 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -65.6 -33.47 75.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 6.0 t -65.28 -32.23 73.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.987 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 86.6 mt -66.88 -39.53 87.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.165 176.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.656 HG13 HE21 ' A' ' 59' ' ' GLN . 7.8 mm -62.05 -41.12 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 177.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -65.02 -39.38 93.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.675 176.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.95 98.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.432 HG23 ' O ' ' B' ' 65' ' ' LEU . 87.9 t -58.7 -47.36 89.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.074 0.464 . . . . 0.0 110.045 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -59.32 -44.07 92.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.731 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 23.6 m -69.91 -33.57 72.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.668 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -76.77 -34.04 58.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.342 -178.535 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 9.3 tt -75.86 -21.64 57.01 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.116 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.92 114.56 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.691 177.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.8 85.54 2.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.193 0.521 . . . . 0.0 109.912 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -84.58 -6.93 59.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.614 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 31.6 m80 75.21 112.88 0.07 Allowed 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.957 0.786 . . . . 0.0 111.821 175.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -107.86 1.99 23.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.511 0.672 . . . . 0.0 110.229 175.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -137.69 123.1 19.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.951 -178.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 . . . . . 0 C--O 1.244 0.78 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.83 179.064 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptm . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.971 0.415 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.8 98.26 7.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.643 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.412 ' C ' ' H ' ' A' ' 5' ' ' SER . 22.3 mt-30 -127.92 157.71 39.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.461 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.432 ' HA ' ' HB2' ' A' ' 7' ' ' TYR . 32.8 t-80 72.68 -29.93 0.21 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.662 0.785 . . . . 0.0 111.638 178.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 3' ' ' GLN . 30.5 t -57.08 110.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 175.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm 75.43 -14.76 0.74 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.766 0.826 . . . . 0.0 111.193 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.432 ' HB2' ' HA ' ' A' ' 4' ' ' HIS . 86.8 m-85 -81.94 58.54 3.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.226 0.536 . . . . 0.0 110.918 -178.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.785 ' HB2' ' HB2' ' A' ' 11' ' ' GLN . 21.8 m -101.66 134.44 44.8 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.56 -30.38 60.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.283 0.563 . . . . 0.0 109.61 177.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.75 -33.66 46.34 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.258 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.785 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 0.0 OUTLIER -70.45 -47.71 59.35 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 16' ' ' VAL . 64.5 tp -57.59 -50.86 71.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.69 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.7 m -55.3 -41.36 72.24 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.349 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.31 92.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.902 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.98 -46.06 85.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.6 t -63.92 -43.27 97.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.017 0.437 . . . . 0.0 110.151 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -67.78 -22.9 65.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.062 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.771 ' O ' HG23 ' A' ' 22' ' ' VAL . 28.9 t70 -75.01 -44.12 49.84 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.22 -37.61 75.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.848 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.6 mt -66.93 -40.57 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.411 . . . . 0.0 110.134 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.59 84.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.362 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.802 HG21 HG21 ' B' ' 22' ' ' VAL . 60.1 t -58.84 -48.32 86.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.101 174.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.695 ' HG ' ' HB3' ' A' ' 28' ' ' ALA . 8.6 tt -55.69 -46.69 77.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.821 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -72.41 -37.67 68.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.954 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -63.08 -48.4 78.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.091 -179.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -89.25 10.63 21.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.669 -176.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.27 58.91 3.61 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.675 174.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.695 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . . . -97.53 113.0 62.79 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.173 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.62 163.47 37.32 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.278 1.986 . . . . 0.0 110.879 174.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.1 m -55.9 -30.85 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 120.575 0.226 . . . . 0.0 111.593 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.546 ' HB3' ' HE1' ' B' ' 7' ' ' TYR . 3.5 m-20 -60.21 -64.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.409 0.623 . . . . 0.0 110.686 176.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.579 HD21 ' HA ' ' B' ' 7' ' ' TYR . 96.9 mt -72.24 -32.46 66.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.191 -173.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.6 p -66.82 -36.52 82.56 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.436 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.8 -42.22 90.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.804 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 31' ' ' ASP . 55.5 mt -66.28 -38.35 81.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.611 177.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.485 ' CB ' HG22 ' B' ' 16' ' ' VAL . . . -60.8 -48.36 82.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.57 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.09 -39.55 92.82 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.332 177.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.86 -45.05 93.7 Favored Glycine 0 C--O 1.236 0.239 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.52 177.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -59.68 -46.34 89.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 110.403 177.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.7 tpt -70.99 -34.65 71.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.066 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.444 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.12 -57.18 13.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.777 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 p -62.42 -37.58 86.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.661 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -56.99 -52.52 64.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.852 176.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.7 -38.27 83.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.724 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 91.4 mt -64.89 -23.76 67.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.295 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.5 p -101.54 11.02 39.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.873 0.368 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.9 m -127.06 -51.21 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.0 t -92.63 -60.02 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -170.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.7 m -69.65 153.23 95.83 Favored Pre-proline 0 C--N 1.327 -0.373 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.181 -175.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.88 119.32 5.85 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.971 2.447 . . . . 0.0 111.716 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.22 -25.77 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.03 -173.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.0 m -77.82 -11.5 59.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.379 0.609 . . . . 0.0 110.823 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.537 ' HG2' ' HG ' ' A' ' 57' ' ' LEU . 55.1 tt0 -124.96 10.95 8.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.452 0.644 . . . . 0.0 109.431 -178.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 48.2 t -61.74 -61.07 2.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.821 -173.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -19.7 64.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.72 0.295 . . . . 0.0 111.475 -176.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.43 -52.31 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.959 0.409 . . . . 0.0 110.118 174.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.537 ' HG ' ' HG2' ' A' ' 53' ' ' GLN . 93.5 mt -64.99 -34.04 77.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.81 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.3 -45.98 92.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.782 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.607 HE21 HG13 ' B' ' 66' ' ' ILE . 62.0 mm-40 -68.36 -35.3 77.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.24 70.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.45 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 65.1 t80 -61.63 -40.98 96.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.926 178.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.614 ' O ' HG12 ' A' ' 66' ' ' ILE . 48.1 t -54.96 -59.38 4.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.924 177.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.71 -32.66 71.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.286 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.2 m -62.12 -43.51 98.66 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 94.1 mt -63.62 -43.92 95.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.589 177.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.614 HG12 ' O ' ' A' ' 62' ' ' SER . 18.8 mm -57.72 -45.29 86.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.136 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -69.24 -35.88 76.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.153 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.49 -50.19 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.939 0.399 . . . . 0.0 110.662 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.59 -33.29 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.957 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 19.3 tptt -60.24 -37.6 80.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.86 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.4 m -83.48 -33.37 25.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.091 0.472 . . . . 0.0 110.579 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -57.88 -52.35 65.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.58 0.705 . . . . 0.0 110.039 176.485 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.9 tp -76.21 -57.14 4.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.918 177.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 75' ' ' HIS . 25.5 tt0 62.86 -73.39 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.805 0.691 . . . . 0.0 110.745 -171.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 9.5 t60 160.24 -16.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -174.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 25.3 t60 71.59 77.63 0.17 Allowed 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 114.336 -1.302 . . . . 0.0 108.779 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -58.15 116.4 3.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.742 -1.117 . . . . 0.0 112.761 -173.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -132.85 28.87 4.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.518 169.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -129.84 13.33 5.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.422 176.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 117.881 -1.057 . . . . 0.0 108.994 -175.347 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.9 mmm . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.33 -20.1 60.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.84 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.29 98.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.135 0.493 . . . . 0.0 111.434 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -124.53 86.87 2.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.009 173.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.7 p -130.42 162.03 30.04 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.035 0.445 . . . . 0.0 111.328 -174.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -101.51 -54.19 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.072 175.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.579 ' HA ' HD21 ' A' ' 32' ' ' LEU . 62.6 m-85 -136.62 85.17 2.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.832 -175.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.509 ' HB3' ' HB3' ' B' ' 11' ' ' GLN . 44.9 t -95.43 114.78 26.58 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.82 -15.78 63.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.273 0.559 . . . . 0.0 109.616 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.26 -38.91 18.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.078 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.509 ' HB3' ' HB3' ' B' ' 8' ' ' SER . 51.0 tt0 -72.59 -39.09 67.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.587 176.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.647 ' O ' HG23 ' B' ' 16' ' ' VAL . 57.7 tp -57.31 -57.52 12.26 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.572 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 8.4 p -56.73 -40.97 76.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.049 -177.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' B' ' 18' ' ' ASP . . . -60.28 -34.98 74.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.299 176.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.486 HG13 ' O ' ' B' ' 11' ' ' GLN . 98.5 mt -74.56 -48.63 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.992 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.647 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.4 t -62.28 -44.19 98.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.34 0.591 . . . . 0.0 109.657 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -64.86 -30.18 71.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.679 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' B' ' 14' ' ' ALA . 3.6 t70 -66.82 -44.81 80.19 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.483 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 66.5 mtt -60.29 -42.56 95.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.546 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 16' ' ' VAL . 69.5 mt -61.87 -48.54 88.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.077 0.465 . . . . 0.0 110.383 176.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.69 97.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.875 -177.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 22' ' ' VAL . 32.9 m -72.24 -28.94 30.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.941 -0.303 . . . . 0.0 111.177 -179.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 19' ' ' MET . 66.9 mt -71.17 -35.32 71.58 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 176.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -81.0 -21.27 40.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.956 0.408 . . . . 0.0 110.773 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -68.61 -41.3 79.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.185 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . 0.474 ' HD2' ' HB2' ' B' ' 28' ' ' ALA . 70.3 t60 -88.68 -18.98 26.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 171.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 pttp 40.51 80.09 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.533 -1.212 . . . . 0.0 112.771 -175.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.474 ' HB2' ' HD2' ' B' ' 26' ' ' HIS . . . -104.53 156.75 35.42 Favored Pre-proline 0 N--CA 1.447 -0.583 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.703 174.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.568 ' HB2' ' OD1' ' B' ' 31' ' ' ASP . 53.0 Cg_endo -69.7 159.12 54.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.566 1.51 . . . . 0.0 111.181 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 t -59.72 -27.61 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.415 -175.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.568 ' OD1' ' HB2' ' B' ' 29' ' ' PRO . 3.5 p-10 -65.02 -60.86 2.58 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.844 -177.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.88 -43.76 94.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.739 0.304 . . . . 0.0 111.434 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -65.51 -31.63 72.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 -176.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 16.0 tp -77.46 -35.08 54.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.758 0.313 . . . . 0.0 110.231 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 31' ' ' ASP . 80.1 mt -64.73 -37.71 80.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 120.936 0.398 . . . . 0.0 110.152 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.558 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -61.51 -47.75 84.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.209 174.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.14 -40.24 89.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.982 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.2 -47.5 89.31 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.448 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -62.23 -41.39 98.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.603 0.24 . . . . 0.0 110.958 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.6 ttt -67.87 -41.02 83.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.882 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.55 -51.41 68.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.107 0.479 . . . . 0.0 110.061 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 16.3 m -58.86 -47.79 83.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.111 177.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -51.46 -48.98 62.61 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.604 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.66 -47.98 67.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.679 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.479 ' HG ' HG11 ' B' ' 49' ' ' VAL . 5.6 mp -77.12 -1.5 29.52 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -174.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.2 p -112.28 4.86 17.99 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.5 m -137.48 -42.29 0.55 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.6 t -125.6 29.66 5.93 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.009 -0.676 . . . . 0.0 112.533 -169.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.562 ' HB ' ' HD2' ' B' ' 50' ' ' PRO . 28.5 m -123.09 169.05 10.67 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' B' ' 49' ' ' VAL . 72.5 Cg_exo -51.39 109.87 0.36 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.37 2.046 . . . . 0.0 111.524 174.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.15 -45.07 94.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.175 -172.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 5.8 m -85.0 -6.43 59.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.133 0.492 . . . . 0.0 110.992 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.461 ' HB3' ' HB2' ' B' ' 50' ' ' PRO . 8.3 tt0 -126.06 21.22 7.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.525 0.679 . . . . 0.0 109.931 -176.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 6.1 p -63.67 -54.59 33.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.553 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.61 -34.51 71.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.95 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.5 -51.92 65.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.37 -40.27 93.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.047 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.35 69.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.288 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -68.31 -39.52 81.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.67 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.71 -53.82 50.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.994 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -61.38 -38.42 86.96 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.049 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.583 ' O ' HG12 ' B' ' 66' ' ' ILE . 39.4 t -62.24 -51.55 67.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.82 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -62.81 -40.88 98.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.966 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 64.3 p -69.96 -25.02 63.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.0 110.424 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 69' ' ' VAL . 28.6 tp -72.13 -37.16 69.51 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 177.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.607 HG13 HE21 ' A' ' 59' ' ' GLN . 14.2 mm -62.15 -42.21 94.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -63.28 -41.72 99.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.827 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' B' ' 72' ' ' ARG . . . -60.79 -47.03 88.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.93 177.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 65' ' ' LEU . 82.7 t -59.0 -43.06 88.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.892 0.377 . . . . 0.0 110.358 176.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -59.27 -43.45 92.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.57 175.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 27.5 m -66.78 -24.53 66.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.052 0.453 . . . . 0.0 111.09 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' B' ' 68' ' ' ALA . 53.9 mmt-85 -78.16 -43.13 29.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.059 0.457 . . . . 0.0 109.973 175.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 8.7 tt -71.37 -39.87 70.97 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.797 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -73.79 82.34 1.62 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.122 0.487 . . . . 0.0 110.426 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -77.76 117.82 19.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.567 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.403 ' C ' ' H ' ' B' ' 78' ' ' HIS . 34.7 t-80 -75.85 -13.78 60.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.396 0.617 . . . . 0.0 109.85 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -80.93 34.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.631 175.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' B' ' 76' ' ' HIS . 57.8 t-80 -115.02 111.33 20.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.087 -178.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -152.0 91.59 1.64 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.202 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.493 -0.765 . . . . 0.0 109.672 177.562 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ttt . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.927 0.394 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.04 96.66 10.6 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -177.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -77.87 96.28 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -70.04 168.52 15.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.294 -176.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -62.34 113.97 3.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.702 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -85.73 14.36 5.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.773 0.321 . . . . 0.0 110.849 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.453 ' HD1' ' HB2' ' B' ' 32' ' ' LEU . 56.1 m-85 62.43 75.3 0.41 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.994 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.462 ' HB2' ' CB ' ' A' ' 11' ' ' GLN . 6.3 m -101.2 132.81 46.51 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -63.69 -23.37 67.35 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.6 -34.94 40.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 109.587 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.462 ' CB ' ' HB2' ' A' ' 8' ' ' SER . 34.7 tt0 -70.54 -38.26 74.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.044 177.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.668 ' O ' HG23 ' A' ' 16' ' ' VAL . 62.7 tp -58.39 -55.5 34.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.361 175.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.8 m -51.78 -42.57 62.52 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.478 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.22 91.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.02 0.438 . . . . 0.0 111.282 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.6 mt -68.91 -47.67 74.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 12' ' ' LEU . 2.3 t -64.17 -41.05 91.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.968 0.413 . . . . 0.0 110.283 -178.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -64.09 -33.57 76.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.435 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.721 ' O ' HG23 ' A' ' 22' ' ' VAL . 35.0 t70 -65.94 -48.19 72.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.9 mtt -55.74 -40.41 72.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.224 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 16' ' ' VAL . 77.9 mt -58.31 -45.99 89.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.966 0.412 . . . . 0.0 110.21 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.75 -44.75 84.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.511 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 18' ' ' ASP . 42.8 t -56.3 -46.78 81.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.137 0.494 . . . . 0.0 110.66 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' A' ' 28' ' ' ALA . 21.1 tp -61.47 -39.26 90.24 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.654 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -72.89 -39.77 66.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.368 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -61.98 -46.75 87.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -176.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -80.33 -20.83 43.34 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt 62.71 84.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.341 -175.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -101.17 111.54 63.68 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.2 162.27 30.58 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.316 2.011 . . . . 0.0 111.583 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -48.71 -33.6 5.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 O-C-N 123.5 0.5 . . . . 0.0 111.036 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.519 ' O ' HG13 ' A' ' 35' ' ' ILE . 2.8 m-20 -55.8 -71.56 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.509 0.671 . . . . 0.0 110.894 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.8 mt -68.47 -30.22 69.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.416 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.4 t -61.0 -48.17 83.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.612 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.6 mt -68.17 -38.45 82.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.011 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 31' ' ' ASP . 45.8 mt -67.4 -38.59 81.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.826 0.346 . . . . 0.0 110.631 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.518 ' HA ' HG22 ' B' ' 16' ' ' VAL . . . -62.9 -44.72 95.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.306 175.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.639 ' HG ' HD11 ' B' ' 37' ' ' LEU . 8.0 tt -59.44 -44.4 92.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.979 177.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.32 -51.08 61.26 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.467 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -61.14 -40.19 92.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.699 0.285 . . . . 0.0 111.085 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.462 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 27.6 ttt -65.3 -51.25 61.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.0 75.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.596 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.3 p -63.83 -40.14 95.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -63.75 -36.93 85.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.725 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 40' ' ' MET . 63.7 mt -73.18 -45.3 57.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.211 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.541 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 95.0 mt -67.02 -19.39 65.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.577 -177.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -96.74 -5.03 39.61 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.127 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.1 m -106.61 -54.33 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.606 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.3 m -95.7 24.85 4.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -176.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.541 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 2.3 p -56.79 123.16 56.79 Favored Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.424 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -66.79 -84.65 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 122.719 2.28 . . . . 0.0 112.537 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -137.02 -114.09 0.17 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.2 m -101.61 -16.24 16.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.76 0.791 . . . . 0.0 110.319 -178.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -73.56 -1.7 19.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.009 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.421 ' HB3' HG23 ' A' ' 49' ' ' VAL . 7.4 p -58.36 -48.15 81.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.365 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.415 ' HB3' HG23 ' B' ' 66' ' ' ILE . 23.5 mt-10 -62.52 -47.84 82.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.952 176.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.57 -50.25 74.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.76 -175.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.6 -37.9 83.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.202 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.06 92.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.966 0.412 . . . . 0.0 110.598 178.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -66.2 -45.29 81.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.067 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.19 70.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.276 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -57.2 -51.35 69.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 66' ' ' ILE . 20.8 p -65.57 -52.36 52.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.072 -176.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -53.48 -47.21 69.99 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.597 0.359 . . . . 0.0 111.127 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.6 t -67.24 -33.99 76.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.3 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.594 HD11 ' HA ' ' B' ' 42' ' ' SER . 30.4 tp -65.88 -39.44 90.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.084 177.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.686 HG12 ' O ' ' A' ' 62' ' ' SER . 21.0 mm -62.91 -43.81 99.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 121.586 0.707 . . . . 0.0 109.524 176.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -65.02 -34.2 77.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.07 94.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.22 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.15 -44.04 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.21 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -58.83 -36.56 74.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.072 0.463 . . . . 0.0 110.851 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.0 m -75.8 -21.69 57.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.953 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.1 -47.25 37.55 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 73' ' ' LEU . 3.9 mm? -68.97 -37.48 78.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.817 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -83.25 77.22 9.81 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.68 0.752 . . . . 0.0 109.841 175.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -119.12 94.28 4.38 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.902 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -71.18 124.13 23.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.14 -175.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -167.19 130.02 1.74 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.185 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -161.0 -55.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.606 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -152.42 -175.78 5.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.4 m170 . . . . . 0 C--O 1.243 0.731 0 CA-C-O 118.493 -0.765 . . . . 0.0 109.346 174.133 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 71.9 mtm . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.88 37.43 2.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.526 0.679 . . . . 0.0 109.462 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -83.35 84.17 7.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.023 -172.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -139.3 161.88 36.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.218 175.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -78.65 67.48 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.086 0.47 . . . . 0.0 111.906 -175.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -174.12 77.85 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.984 0.897 . . . . 0.0 108.624 172.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -57.51 -34.74 69.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.2 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 44.2 m -160.47 95.59 1.13 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.114 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -70.44 -16.26 62.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.162 0.506 . . . . 0.0 109.653 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.99 -45.99 75.92 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.524 172.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.488 ' O ' HG13 ' B' ' 15' ' ' ILE . 28.9 mm-40 -59.92 -46.42 89.43 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.927 174.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.706 ' O ' HG23 ' B' ' 16' ' ' VAL . 47.5 tp -55.26 -57.85 10.11 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.009 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 21.5 m -53.65 -42.03 67.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.109 -177.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.04 97.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.702 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 11' ' ' GLN . 85.0 mt -66.22 -47.62 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.706 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.5 t -65.74 -34.84 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.93 -43.86 82.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.264 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.526 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.7 m-20 -63.96 -35.83 81.97 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.565 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.419 ' HG2' ' O ' ' B' ' 15' ' ' ILE . 93.3 mmm -56.52 -42.95 79.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.874 0.369 . . . . 0.0 110.331 175.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 49.5 mm -74.76 -41.74 47.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.13 -47.15 81.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.774 0.321 . . . . 0.0 111.261 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 18' ' ' ASP . 64.5 t -65.55 -32.62 59.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.315 0.579 . . . . 0.0 109.849 178.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.85 -52.4 60.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.871 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -74.61 -22.64 58.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.855 -174.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 11.8 ptmm? -71.97 -22.4 61.45 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -78.67 -27.73 45.22 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 170.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 tptt 66.53 41.75 3.05 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.682 176.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.85 146.49 31.39 Favored Pre-proline 0 N--CA 1.449 -0.524 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.79 158.41 42.65 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.285 1.99 . . . . 0.0 111.432 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 10.4 p -56.6 -24.24 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.494 -177.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.479 ' O ' HG13 ' B' ' 35' ' ' ILE . 14.4 t70 -67.04 -64.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.977 -178.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.453 ' HB2' ' HD1' ' A' ' 7' ' ' TYR . 40.5 tp -63.16 -39.12 93.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.992 -177.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -67.19 -31.16 71.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.046 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 7.2 tt -71.33 -33.61 69.79 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 31' ' ' ASP . 52.2 mt -63.19 -39.18 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.28 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -59.58 -42.75 93.21 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.515 174.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.639 HD11 ' HG ' ' A' ' 37' ' ' LEU . 61.8 tp -63.85 -40.55 96.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.568 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.83 -44.77 97.42 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.062 178.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -60.29 -42.06 94.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.982 0.42 . . . . 0.0 110.182 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.508 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 47.7 ttm -61.12 -52.72 63.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.563 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.76 -50.03 71.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.095 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.594 ' HA ' HD11 ' A' ' 65' ' ' LEU . 24.0 m -56.77 -47.94 78.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.739 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -61.93 -39.65 92.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.08 -178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' B' ' 40' ' ' MET . 63.8 mt -65.75 -46.19 79.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.735 0.302 . . . . 0.0 111.235 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.488 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 6.2 mp -70.89 -18.19 62.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.137 0.494 . . . . 0.0 111.82 -177.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 24.4 p -102.05 1.35 36.33 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.048 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 92.4 m -126.62 -45.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.3 m -107.74 23.84 13.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.973 0.416 . . . . 0.0 111.091 -174.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.838 HG22 ' H ' ' B' ' 51' ' ' GLN . 8.2 p -77.34 121.61 84.77 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 121.186 0.517 . . . . 0.0 111.835 -175.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 1.042 ' HD2' ' HB2' ' B' ' 54' ' ' CYS . 11.9 Cg_exo -73.21 2.74 5.25 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.417 2.744 . . . . 0.0 112.456 174.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.838 ' H ' HG22 ' B' ' 49' ' ' VAL . 30.0 tt0 75.53 -57.51 0.58 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.044 0.938 . . . . 0.0 112.424 172.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 8.4 t -95.66 -35.09 11.72 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -171.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -87.52 -39.86 14.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.865 0.365 . . . . 0.0 111.108 -176.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . 1.042 ' HB2' ' HD2' ' B' ' 50' ' ' PRO . 46.1 t -59.54 -40.85 88.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.631 -175.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -59.28 -58.88 6.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 111.166 -177.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.85 84.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.382 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.64 -41.29 84.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.687 -175.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.53 94.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.943 0.402 . . . . 0.0 110.614 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -67.1 -40.0 86.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.437 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.1 -50.48 73.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.751 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -58.75 -46.33 87.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.375 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.704 ' O ' HG12 ' B' ' 66' ' ' ILE . 44.9 m -59.16 -53.82 54.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -38.29 83.54 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 111.243 -178.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 46.4 m -65.78 -36.46 83.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.185 0.517 . . . . 0.0 110.211 177.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.476 ' O ' HG23 ' B' ' 69' ' ' VAL . 14.9 tp -68.25 -40.74 81.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.309 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.704 HG12 ' O ' ' B' ' 62' ' ' SER . 29.5 mm -60.19 -49.06 85.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 -177.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -75.35 -20.94 58.72 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.703 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.56 80.51 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 65' ' ' LEU . 90.8 t -62.43 -40.48 88.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.195 174.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -54.78 -42.17 71.41 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 111.069 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 31.3 m -73.12 -41.71 63.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.895 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -29.36 65.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.956 0.408 . . . . 0.0 110.57 -178.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 42.9 tp -76.5 -27.9 56.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.608 175.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 66.74 14.58 9.85 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.395 172.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -127.97 45.05 2.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.308 0.575 . . . . 0.0 111.536 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -141.05 -66.88 0.42 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.7 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -138.26 69.62 1.39 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -127.48 91.1 3.24 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.653 173.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -91.26 -28.66 17.64 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 t60 . . . . . 0 C--O 1.242 0.681 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.603 174.723 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.45 -167.96 0.19 Allowed 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.701 0.626 . . . . 0.0 111.056 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -90.75 131.74 36.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.944 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -74.3 137.45 42.9 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 m -72.3 87.38 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.277 0.561 . . . . 0.0 111.488 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -120.95 37.82 4.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 174.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 64.48 90.75 0.08 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.882 -169.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.684 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 44.7 t -110.86 108.09 17.78 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 175.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -69.44 -12.98 62.1 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.57 -36.66 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.6 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.684 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 1.0 OUTLIER -68.98 -42.4 76.59 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.624 173.188 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.1 tm? -54.47 -57.55 10.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.288 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 p -58.65 -41.3 85.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.278 -177.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.99 97.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.302 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 11' ' ' GLN . 88.9 mt -62.29 -46.59 96.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.689 0.28 . . . . 0.0 110.827 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.5 t -70.01 -41.36 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -61.62 -46.91 87.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.169 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.717 ' O ' HG23 ' A' ' 22' ' ' VAL . 10.4 t70 -66.7 -39.84 88.22 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 50.0 tpp -61.89 -34.58 76.3 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.849 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 16' ' ' VAL . 84.2 mt -58.31 -46.88 88.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.188 0.518 . . . . 0.0 109.655 173.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 25' ' ' LYS . . . -65.7 -39.57 91.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.747 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 18' ' ' ASP . 53.8 t -59.97 -44.35 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 121.238 0.542 . . . . 0.0 110.343 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.1 tp -65.27 -38.08 89.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.402 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.525 ' HG3' ' HE2' ' A' ' 27' ' ' LYS . 38.6 tt0 -67.53 -25.99 66.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.961 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 73.7 mmtt -70.38 -26.2 63.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.389 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -105.81 -32.29 8.45 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.979 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HE2' ' HG3' ' A' ' 24' ' ' GLU . 28.3 mmtp 60.42 81.01 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.975 0.797 . . . . 0.0 111.519 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.24 135.38 73.04 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.749 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.02 36.06 0.32 Allowed 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 123.073 2.515 . . . . 0.0 113.43 -176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.5 t 70.93 -55.4 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 123.751 0.82 . . . . 0.0 111.019 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.658 ' O ' HG12 ' A' ' 35' ' ' ILE . 12.4 m-20 -54.03 -64.49 0.81 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.165 -177.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.596 HD22 ' HB2' ' B' ' 12' ' ' LEU . 85.0 mt -60.43 -28.16 68.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.584 -175.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -67.94 -36.13 79.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.112 0.482 . . . . 0.0 109.851 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -79.06 -32.1 44.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.953 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.658 HG12 ' O ' ' A' ' 31' ' ' ASP . 8.1 mm -69.77 -47.56 69.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -53.49 17.46 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.952 171.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.27 -43.2 99.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.445 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.69 -50.23 69.38 Favored Glycine 0 C--O 1.236 0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.569 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.07 -40.42 90.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.94 0.4 . . . . 0.0 110.209 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 41.7 ttm -60.09 -48.69 80.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.748 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -53.25 -55.66 22.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.877 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.5 m -59.32 -48.79 80.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.123 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -63.01 -45.44 92.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.137 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.5 mt -70.93 -37.42 72.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.565 0.222 . . . . 0.0 111.523 -178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HA ' HG22 ' A' ' 49' ' ' VAL . 80.9 mt -69.18 -21.25 63.99 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.972 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.464 HG21 ' HG3' ' B' ' 72' ' ' ARG . 23.4 p -100.52 7.11 44.31 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.409 -0.516 . . . . 0.0 112.244 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.2 p -137.06 -45.87 0.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.4 m -94.89 -43.2 8.3 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -167.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 45' ' ' LEU . 13.3 m -84.87 157.07 60.76 Favored Pre-proline 0 C--N 1.323 -0.558 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.069 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.41 114.77 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.654 2.236 . . . . 0.0 111.876 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.455 ' HA ' ' HB2' ' A' ' 54' ' ' CYS . 3.1 pt20 -66.74 -20.37 65.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.231 -176.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.505 HG23 ' HG3' ' A' ' 53' ' ' GLN . 12.9 t -77.78 -5.17 49.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.163 0.506 . . . . 0.0 110.461 176.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.508 ' HB3' HD13 ' A' ' 57' ' ' LEU . 24.1 mt-30 -131.15 15.82 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.972 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 51' ' ' GLN . 48.7 t -63.17 -48.98 76.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.696 -174.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -71.89 -35.81 69.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.838 -179.431 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.03 -53.33 58.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.992 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 53' ' ' GLN . 10.1 mp -67.33 -37.43 83.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.56 -51.4 69.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.898 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -66.71 -41.62 87.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.35 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.18 -48.09 82.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.372 . . . . 0.0 110.597 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.25 -44.83 94.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.368 177.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.644 ' O ' HG12 ' A' ' 66' ' ' ILE . 49.3 m -59.51 -58.14 9.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.389 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -59.63 -30.46 68.72 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.985 -175.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.6 m -65.91 -41.7 91.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.793 0.33 . . . . 0.0 110.265 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.68 -43.55 79.89 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.272 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 62' ' ' SER . 28.9 mm -53.88 -47.03 64.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.87 177.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.94 -50.34 74.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.877 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.52 -47.6 83.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.756 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.4 t -67.4 -41.43 86.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.101 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 37.3 ttmt -70.08 -35.7 74.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.693 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 60.9 m -75.18 -20.85 59.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.463 . . . . 0.0 110.565 176.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -71.88 -44.41 63.81 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.477 ' HG ' ' HD2' ' A' ' 75' ' ' HIS . 35.6 tp -63.39 -58.14 8.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.765 176.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 71' ' ' THR . 38.7 tt0 37.68 90.14 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 O-C-N 124.484 1.115 . . . . 0.0 113.701 170.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.477 ' HD2' ' HG ' ' A' ' 73' ' ' LEU . 33.7 m-70 -99.37 105.17 17.11 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.906 0.384 . . . . 0.0 110.942 178.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -133.96 84.42 2.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.608 0.718 . . . . 0.0 110.4 176.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -65.87 -37.94 87.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.172 -175.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -129.46 135.45 48.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -75.09 133.98 41.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.822 0.344 . . . . 0.0 110.813 -175.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.3 m80 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.528 -0.748 . . . . 0.0 109.95 175.222 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.577 0.227 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.28 135.11 39.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -108.86 76.76 1.03 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.863 0.363 . . . . 0.0 110.73 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 58.89 84.94 0.1 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.164 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -70.85 113.94 8.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.227 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -63.13 -40.92 99.0 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.226 0.536 . . . . 0.0 109.997 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.422 ' HB2' HD21 ' A' ' 32' ' ' LEU . 84.4 m-85 -127.27 -79.51 0.59 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.314 174.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.712 ' HB2' ' HB3' ' B' ' 11' ' ' GLN . 20.1 m -150.49 110.66 4.15 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 175.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -61.03 -24.36 66.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.146 0.498 . . . . 0.0 110.236 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.88 -39.0 44.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.033 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.712 ' HB3' ' HB2' ' B' ' 8' ' ' SER . 7.6 tt0 -71.14 -41.81 69.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.917 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.604 ' CD1' ' HB ' ' A' ' 35' ' ' ILE . 23.4 tp -54.01 -56.2 20.16 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.071 177.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . 0.835 ' HA ' HG12 ' B' ' 16' ' ' VAL . 23.7 p -77.15 -14.7 59.75 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.97 -172.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.82 76.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.177 0.513 . . . . 0.0 109.63 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mt -67.68 -48.76 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.902 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.835 HG12 ' HA ' ' B' ' 13' ' ' SER . 9.8 p -72.49 -20.89 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.682 -178.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' B' ' 13' ' ' SER . 46.4 t-20 -61.34 -53.38 57.43 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 173.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.542 ' O ' HG23 ' B' ' 22' ' ' VAL . 4.4 m-20 -55.77 -52.78 62.76 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.621 175.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.429 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 62.2 mtt -49.02 -55.62 11.46 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.877 -177.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 68.2 mt -67.05 -43.45 88.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.732 0.301 . . . . 0.0 111.226 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.16 -34.28 77.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.613 -177.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 18' ' ' ASP . 70.7 t -68.6 -42.04 83.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' B' ' 19' ' ' MET . 96.5 mt -61.14 -40.21 92.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.089 0.471 . . . . 0.0 109.959 175.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.2 -52.6 63.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.64 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -60.38 -34.03 73.31 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 111.32 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -75.57 -17.38 60.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 60.77 37.24 18.94 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.759 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.95 127.5 83.66 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.635 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.95 162.54 25.38 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.78 2.32 . . . . 0.0 112.024 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -60.23 -21.69 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.613 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.507 ' O ' HG13 ' B' ' 35' ' ' ILE . 11.4 m-20 -65.72 -67.03 0.47 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.22 0.533 . . . . 0.0 110.947 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 12' ' ' LEU . 87.3 mt -68.59 -30.92 69.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.947 -172.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.5 p -64.13 -45.53 88.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.679 0.276 . . . . 0.0 110.803 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.05 -36.26 82.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.166 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.507 HG13 ' O ' ' B' ' 31' ' ' ASP . 60.9 mt -65.27 -43.71 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.656 0.265 . . . . 0.0 110.424 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.32 -42.01 90.41 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.883 0.373 . . . . 0.0 110.681 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.49 -39.7 94.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.332 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.56 -38.75 96.89 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.178 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -45.98 90.12 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 20.9 mmt -62.49 -50.05 72.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.942 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.4 27.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.217 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.3 p -62.22 -44.29 96.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.373 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.71 -42.04 92.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.246 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -79.3 -37.71 37.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.912 0.387 . . . . 0.0 111.153 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -71.27 -14.21 62.15 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.399 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 10.9 p -97.13 -25.58 15.27 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.647 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.7 p -109.13 -36.83 5.95 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -172.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.7 m -89.06 -51.89 5.36 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -169.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.32 149.14 91.4 Favored Pre-proline 0 C--O 1.236 0.383 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.897 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.17 122.71 12.2 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.268 2.646 . . . . 0.0 112.646 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -62.37 -19.69 63.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.821 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . 0.604 HG23 ' HG3' ' B' ' 53' ' ' GLN . 9.0 t -73.91 -15.15 61.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.687 0.279 . . . . 0.0 110.943 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.604 ' HG3' HG23 ' B' ' 52' ' ' THR . 28.6 mt-30 -133.14 22.79 4.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.34 -177.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 7.2 p -59.2 -49.44 77.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.906 -174.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' B' ' 55' ' ' GLU . 0.0 OUTLIER -73.97 -27.2 60.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.617 0.246 . . . . 0.0 111.619 -178.233 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.86 -47.93 41.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.835 0.35 . . . . 0.0 110.778 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.86 -32.36 72.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.533 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.49 ' HB1' HD13 ' A' ' 66' ' ' ILE . . . -61.9 -42.31 98.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.094 0.473 . . . . 0.0 110.419 175.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -68.9 -38.57 79.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.804 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.32 95.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.784 0.326 . . . . 0.0 110.697 177.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.523 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 51.9 t80 -59.13 -44.31 92.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.109 175.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.698 ' O ' HG12 ' B' ' 66' ' ' ILE . 34.0 t -62.63 -59.98 4.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.838 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -54.51 -41.23 69.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.218 -173.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 61.7 p -67.48 -39.04 85.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 74.5 mt -65.79 -45.62 81.76 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.751 0.31 . . . . 0.0 110.786 177.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.698 HG12 ' O ' ' B' ' 62' ' ' SER . 5.7 mm -62.49 -40.34 87.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -69.8 -34.66 74.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.635 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.9 -46.17 91.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.271 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 65' ' ' LEU . 60.3 t -59.0 -40.95 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.258 175.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' B' ' 74' ' ' GLU . 64.5 mttm -64.54 -31.4 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.136 177.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 11.5 m -84.9 -7.88 58.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.622 0.725 . . . . 0.0 110.438 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.623 ' HA ' ' NE ' ' B' ' 72' ' ' ARG . 4.6 mmp_? -93.59 -49.34 5.93 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.423 0.63 . . . . 0.0 110.24 173.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.62 -39.27 83.71 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.492 176.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' B' ' 70' ' ' LYS . 3.5 mm-40 -96.62 108.27 20.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.284 0.564 . . . . 0.0 110.587 176.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -138.25 106.63 5.81 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.926 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.553 ' HB2' ' HA ' ' B' ' 80' ' ' HIS . 24.2 m170 -118.91 147.2 44.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.122 -177.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -91.89 -47.58 7.24 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -92.44 108.2 19.79 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 61.92 100.66 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 O-C-N 124.019 0.824 . . . . 0.0 110.933 -176.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.553 ' HA ' ' HB2' ' B' ' 76' ' ' HIS . 14.6 p80 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.606 177.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.71 109.97 5.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.412 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.452 ' HB3' ' H ' ' A' ' 4' ' ' HIS . 1.7 mp0 58.74 -152.75 0.4 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.017 175.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.452 ' H ' ' HB3' ' A' ' 3' ' ' GLN . 86.1 m-70 -92.24 24.96 3.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.174 0.512 . . . . 0.0 110.482 176.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 t -87.46 39.33 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.509 0.671 . . . . 0.0 109.344 177.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -85.62 26.66 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.325 -173.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 63.83 84.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.386 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.42 ' HB2' ' HB3' ' A' ' 11' ' ' GLN . 17.4 m -84.06 105.79 15.2 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -62.37 -14.9 44.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.429 0.633 . . . . 0.0 109.369 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.02 -41.61 35.18 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.112 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.48 ' O ' HG13 ' A' ' 15' ' ' ILE . 4.4 tt0 -71.2 -38.94 72.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.799 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 16' ' ' VAL . 55.4 tp -53.79 -61.73 2.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 177.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 p -56.77 -36.83 70.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.32 -177.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.49 92.95 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.819 0.342 . . . . 0.0 110.648 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 11' ' ' GLN . 84.7 mt -67.71 -49.47 69.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.79 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 12' ' ' LEU . 1.6 t -63.97 -41.34 92.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.603 -175.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -62.35 -41.55 98.69 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.206 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.716 ' O ' HG23 ' A' ' 22' ' ' VAL . 36.1 t70 -66.3 -51.12 60.54 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.42 ' O ' HD23 ' A' ' 23' ' ' LEU . 40.5 ttp -51.47 -45.28 62.69 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.271 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 78.8 mt -60.69 -51.02 77.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.626 0.25 . . . . 0.0 110.704 177.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.84 96.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.283 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 18' ' ' ASP . 62.8 t -59.35 -46.1 92.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.702 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 19' ' ' MET . 4.1 mm? -64.8 -36.51 84.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.248 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 20' ' ' ILE . 19.0 mm-40 -64.71 -41.61 95.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.013 0.435 . . . . 0.0 110.371 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -69.05 -33.61 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.823 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -77.39 -27.75 52.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.049 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt 56.18 76.7 0.28 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.499 0.666 . . . . 0.0 110.505 -177.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.09 134.05 21.15 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.611 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -69.23 152.76 72.06 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.418 2.079 . . . . 0.0 111.707 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.15 -18.06 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.887 -176.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.472 ' O ' HG13 ' A' ' 35' ' ' ILE . 12.2 m-20 -63.66 -66.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.9 -36.81 83.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.004 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 t -58.44 -52.62 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.052 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 34' ' ' LEU . 4.3 mm? -73.35 -27.67 61.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.466 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 31' ' ' ASP . 79.1 mt -72.08 -39.45 65.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.399 176.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.36 -45.92 91.78 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.8 -36.39 82.27 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.807 176.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.39 -53.4 36.13 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.228 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.16 -39.63 87.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.803 0.335 . . . . 0.0 110.667 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.501 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 2.0 tpt -65.48 -49.89 67.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.463 178.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.3 -46.2 86.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.882 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -59.86 -48.24 82.49 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.162 0.506 . . . . 0.0 110.824 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -63.68 -38.59 91.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.669 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 40' ' ' MET . 76.0 mt -69.58 -39.16 77.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.031 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 84.7 mt -68.29 -17.3 64.24 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.226 -0.296 . . . . 0.0 111.205 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 p -105.55 9.83 33.29 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 175.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.8 m -138.16 -44.32 0.51 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.55 ' HB3' ' HB ' ' B' ' 30' ' ' VAL . 49.1 m -83.31 -13.5 54.98 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -173.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.495 ' HB ' ' HD2' ' A' ' 50' ' ' PRO . 19.6 m -89.65 162.86 35.02 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.495 ' HD2' ' HB ' ' A' ' 49' ' ' VAL . 10.1 Cg_endo -54.57 -74.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.798 2.332 . . . . 0.0 111.584 173.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -179.98 -80.55 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.666 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.4 m -69.42 -35.76 76.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.524 -173.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -69.96 -6.61 34.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.601 -175.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.488 ' SG ' HG11 ' B' ' 69' ' ' VAL . 48.9 t -56.33 -38.73 71.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.409 -178.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.98 -42.91 95.21 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.076 0.465 . . . . 0.0 110.512 -177.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.98 -45.23 64.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.046 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.87 -41.84 91.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.634 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.19 95.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.769 0.319 . . . . 0.0 110.642 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -70.11 -30.22 67.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.063 0.459 . . . . 0.0 110.369 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.56 76.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.099 174.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.07 -39.69 95.46 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.009 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.618 ' O ' HG12 ' A' ' 66' ' ' ILE . 29.2 t -54.22 -61.87 2.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.561 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -62.13 -27.07 68.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.037 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.1 t -63.0 -44.69 95.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.13 -39.23 86.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.24 176.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.618 HG12 ' O ' ' A' ' 62' ' ' SER . 34.1 mm -58.03 -51.18 73.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.848 177.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -63.61 -36.38 83.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.723 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.65 83.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.833 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.9 t -63.99 -43.02 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.567 ' HD3' ' O ' ' A' ' 66' ' ' ILE . 5.7 mptp? -62.03 -39.88 93.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.945 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.8 m -75.56 -19.89 58.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.178 0.513 . . . . 0.0 110.822 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.523 ' HG3' ' HB ' ' B' ' 46' ' ' THR . 1.4 tmt_? -73.64 -37.38 65.36 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.9 mt -81.99 -39.3 23.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.684 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 68.17 131.61 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.717 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -75.39 -20.6 58.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.416 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -110.11 102.35 11.06 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 175.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -106.86 -25.06 11.84 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.606 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.8 t60 60.94 -86.37 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.84 -177.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 170.61 -17.77 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.429 -177.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 117.924 -1.036 . . . . 0.0 109.999 -175.882 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.937 0.398 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.71 -30.47 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.272 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -99.08 110.12 22.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.805 0.336 . . . . 0.0 110.257 -178.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -94.98 -41.23 9.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.134 0.492 . . . . 0.0 109.883 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -149.38 109.22 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.348 175.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -68.89 -26.93 65.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.222 0.535 . . . . 0.0 110.428 -178.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -74.65 -69.78 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.11 177.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.456 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 48.2 t 175.23 118.93 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.983 -177.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.07 -23.9 67.31 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 173.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.7 -38.55 64.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.242 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.841 HE21 ' HA ' ' B' ' 11' ' ' GLN . 0.0 OUTLIER -70.73 -40.0 73.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 177.072 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.58 -56.77 17.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.437 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . 0.415 ' HA ' HG23 ' B' ' 16' ' ' VAL . 11.8 p -59.18 -37.58 77.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.381 -177.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -36.81 79.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 111.313 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 63.1 mt -69.65 -43.0 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.623 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.415 HG23 ' HA ' ' B' ' 13' ' ' SER . 0.0 OUTLIER -70.53 -27.87 32.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.195 179.41 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -67.7 -32.54 73.25 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.828 175.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.741 ' O ' HG23 ' B' ' 22' ' ' VAL . 34.4 t70 -68.48 -42.39 78.74 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.453 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 26.3 mmt -52.57 -45.28 66.38 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.554 0.533 . . . . 0.0 110.791 176.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 71.8 mt -58.69 -42.57 85.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.296 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.635 ' O ' ' HG3' ' B' ' 25' ' ' LYS . . . -66.47 -37.94 86.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.868 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 18' ' ' ASP . 44.8 t -58.56 -45.45 90.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.264 177.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 19' ' ' MET . 65.3 mt -64.66 -44.36 90.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.984 176.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -59.88 -27.62 66.85 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.361 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.635 ' HG3' ' O ' ' B' ' 21' ' ' ALA . 92.0 mttt -58.06 -50.0 74.94 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.075 0.464 . . . . 0.0 110.811 178.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -97.81 -18.45 18.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.544 -175.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 tttm 57.02 58.86 3.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.76 0.791 . . . . 0.0 109.266 -177.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.42 157.12 36.76 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.115 -173.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.519 ' HD2' HD12 ' B' ' 32' ' ' LEU . 57.9 Cg_endo -71.92 172.12 15.24 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.638 2.225 . . . . 0.0 112.194 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.55 ' HB ' ' HB3' ' A' ' 48' ' ' SER . 29.7 m -60.26 -32.53 50.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -176.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.568 ' O ' HG13 ' B' ' 35' ' ' ILE . 5.2 m-20 -63.52 -55.64 22.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.645 0.26 . . . . 0.0 110.852 -177.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.519 HD12 ' HD2' ' B' ' 29' ' ' PRO . 84.2 mt -61.33 -39.44 90.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.78 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 40.8 t -61.73 -38.9 89.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.536 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -73.73 -39.88 63.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.947 -176.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 31' ' ' ASP . 48.2 mt -70.12 -36.23 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.884 -178.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.55 -45.17 94.88 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 174.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.56 -39.86 95.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.538 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.88 -51.76 57.0 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.675 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -62.1 -40.01 94.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.735 0.302 . . . . 0.0 110.406 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 14.1 tpt -64.39 -47.24 79.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.839 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.81 75.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.621 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.8 m -58.19 -49.31 77.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.364 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -54.32 -50.18 67.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.135 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 58.9 mt -67.58 -40.97 84.84 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.5 mt -74.67 -10.57 59.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.523 ' HB ' ' HG3' ' A' ' 72' ' ' ARG . 25.5 p -105.78 -2.83 22.72 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.509 -0.476 . . . . 0.0 112.175 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.6 p -131.54 -41.81 1.06 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -175.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -112.39 28.67 8.57 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -167.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.45 153.89 50.36 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.56 ' HD2' HD22 ' B' ' 57' ' ' LEU . 67.1 Cg_exo -52.22 112.04 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.54 2.16 . . . . 0.0 111.277 175.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -28.46 67.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -172.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 33.5 p -83.45 -33.57 25.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.223 0.535 . . . . 0.0 111.724 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -103.93 16.27 26.71 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.352 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 17.3 p -56.59 -44.52 81.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.468 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -54.49 -46.68 73.47 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.353 0.597 . . . . 0.0 110.738 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.7 -43.99 78.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.459 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.56 HD22 ' HD2' ' B' ' 50' ' ' PRO . 9.8 mp -70.8 -37.54 73.29 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.37 -49.29 78.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 0.0 110.455 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -71.29 -31.52 67.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.007 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.52 -49.83 69.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.063 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.435 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 38.1 t80 -63.01 -46.44 87.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.823 0.344 . . . . 0.0 110.573 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.57 ' HB2' ' OG ' ' A' ' 62' ' ' SER . 8.5 p -64.9 -52.65 55.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.366 -176.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.408 ' HA ' HG12 ' B' ' 66' ' ' ILE . 88.5 m-20 -66.15 -26.17 67.31 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.616 0.246 . . . . 0.0 111.165 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 27.1 t -64.65 -40.21 95.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' B' ' 61' ' ' PHE . 91.8 mt -63.32 -42.6 99.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.291 178.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.427 HG12 ' O ' ' B' ' 62' ' ' SER . 13.5 mm -57.38 -48.43 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.413 0.625 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -68.6 -40.32 80.51 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.151 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.77 80.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.488 HG11 ' SG ' ' A' ' 54' ' ' CYS . 97.1 t -61.05 -48.83 87.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.414 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -55.64 -53.18 59.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.4 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 26.1 m -70.64 -26.26 63.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.681 -174.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -52.38 12.84 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 176.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.68 -28.46 69.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.904 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -55.62 120.51 7.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.788 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -87.03 63.36 7.88 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 177.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -62.91 133.11 54.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.459 -173.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -82.83 171.74 13.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.824 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . 0.486 ' O ' ' HB2' ' B' ' 79' ' ' HIS . 28.5 m80 -126.5 32.51 5.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.14 -174.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . 0.486 ' HB2' ' O ' ' B' ' 78' ' ' HIS . 34.1 m80 71.98 148.55 0.09 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.239 -171.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.961 179.978 . . . . . . . . 0 0 . 1 stop_ save_