data_2lxl_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 2lxl _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.54 153.83 3.65 Favored Pre-proline 0 N--CA 1.445 -0.716 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.655 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -59.62 147.57 91.28 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 123.041 2.494 . . . . 0.0 112.244 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.595 ' CD2' ' N ' ' A' ' 7' ' ' LEU . 2.2 mm? -98.35 141.45 22.97 Favored Pre-proline 0 N--CA 1.449 -0.521 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.145 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.8 173.35 0.55 Allowed 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.541 2.16 . . . . 0.0 112.118 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -53.85 135.91 64.38 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.665 2.243 . . . . 0.0 112.177 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tt -92.76 111.83 52.95 Favored Pre-proline 0 N--CA 1.444 -0.739 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.92 164.54 35.29 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.706 2.27 . . . . 0.0 112.146 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.65 -20.33 63.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -60.25 -40.34 89.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.976 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.46 ' CZ ' ' OD2' ' A' ' 50' ' ' ASP . 48.5 m-85 -99.12 18.59 17.03 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.109 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -65.83 -30.47 71.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.999 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 t -66.85 -34.17 77.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.631 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.0 pt -100.86 2.83 10.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.722 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -54.55 -41.08 69.33 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.637 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -63.64 -34.1 77.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.901 0.382 . . . . 0.0 110.561 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.414 ' CD2' ' CE2' ' A' ' 41' ' ' TYR . 76.1 m80 -66.51 -63.82 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.323 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.29 -33.77 69.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.338 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 22' ' ' ARG . 65.1 ttt-85 -60.7 -47.53 85.84 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.357 0.599 . . . . 0.0 110.27 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.407 HG21 ' HD1' ' A' ' 27' ' ' HIS . 6.5 m -63.5 -38.11 89.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.019 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.56 81.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.456 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.705 ' NE2' HH22 ' A' ' 39' ' ' ARG . 74.0 mm-40 -57.59 -36.69 72.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.115 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -69.93 -42.91 72.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.07 0.462 . . . . 0.0 110.736 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 30' ' ' ARG . 16.2 m80 -65.04 -32.86 74.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.618 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -42.59 -31.33 0.44 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.557 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -87.73 -28.09 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.677 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.638 HH11 ' HH ' ' A' ' 93' ' ' TYR . 23.7 ttm180 -88.44 -52.8 4.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' HIS . 19.9 m-20 -151.98 126.1 4.45 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.762 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.55 -26.71 11.6 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.535 2.156 . . . . 0.0 112.159 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.7 -47.38 91.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.006 0.432 . . . . 0.0 110.768 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.6 t -60.67 -43.89 95.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.369 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.16 82.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -50.79 -53.59 30.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.37 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -64.46 -40.3 95.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.733 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.25 -48.04 83.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.705 HH22 ' NE2' ' A' ' 25' ' ' GLN . 79.1 mtt-85 -61.24 -34.8 75.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.485 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.16 -44.12 95.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.041 0.448 . . . . 0.0 110.512 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CE2' ' CD2' ' A' ' 20' ' ' HIS . 61.7 t80 -62.53 -43.98 97.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.671 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.05 94.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.6 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.573 ' SD ' ' SD ' ' A' ' 64' ' ' MET . 7.4 mtt -61.42 -47.16 87.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.038 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -55.95 -55.79 28.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.649 0.593 . . . . 0.0 110.691 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -64.08 -26.1 68.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.9 0.381 . . . . 0.0 110.423 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.468 ' O ' ' OD1' ' A' ' 50' ' ' ASP . . . -67.82 -54.56 17.75 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 20.1 ptp -60.99 -37.35 82.18 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.606 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -61.99 -44.82 95.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.722 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.9 mt -66.81 -45.53 87.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.494 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.468 ' OD1' ' O ' ' A' ' 46' ' ' GLY . 1.1 p30 -145.03 102.37 3.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.215 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.1 m -48.89 -91.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.551 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.506 ' HZ1' ' NH2' ' A' ' 57' ' ' ARG . 7.2 mtmp? -132.25 98.15 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.412 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.2 m -104.21 129.68 24.71 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -40.72 -30.99 0.6 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.62 2.213 . . . . 0.0 112.316 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -85.46 -60.22 2.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.555 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 57.7 m -61.37 -26.6 67.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.45 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.506 ' NH2' ' HZ1' ' A' ' 52' ' ' LYS . 26.7 ttm180 -42.94 -39.38 2.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.565 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -63.28 -45.27 92.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.675 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -63.76 -43.21 97.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.326 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.541 ' O ' ' SD ' ' A' ' 64' ' ' MET . 63.2 mt -63.03 -46.0 89.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.349 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 p -58.99 -44.66 91.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.489 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -66.57 -46.77 74.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.904 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.28 -43.75 98.37 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.281 0.562 . . . . 0.0 110.915 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.573 ' SD ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -60.12 -41.34 92.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.19 179.753 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.72 -39.08 90.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.255 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -53.29 -48.1 68.64 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.516 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.61 -42.02 99.34 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.184 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.3 -38.27 88.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.945 0.402 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.73 -46.03 91.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.648 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.06 -39.57 90.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -58.28 -48.75 79.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.496 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -73.94 -31.17 62.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.612 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -56.54 -43.95 80.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.59 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 mt -86.82 -47.23 9.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.696 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.58 -97.51 1.83 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -91.86 89.15 6.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.459 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -128.5 130.47 47.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.676 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 82' ' ' GLN . 11.3 mt-10 -63.39 -38.93 93.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.603 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.1 -38.77 83.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.927 0.394 . . . . 0.0 110.585 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.427 HG23 HD12 ' A' ' 80' ' ' ILE . 48.7 mm -80.73 -49.24 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.8 p -67.6 -48.1 67.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 78' ' ' GLU . 63.0 mt-30 -97.67 115.12 27.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.366 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.496 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 18.3 pt-20 -70.63 -36.62 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.844 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pt -57.81 -44.61 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.453 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.82 -45.24 99.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.104 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.87 -35.23 91.74 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.567 ' SG ' ' CZ ' ' A' ' 131' ' ' PHE . 70.7 m -63.92 -47.36 80.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.85 0.357 . . . . 0.0 110.592 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.05 85.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.473 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -62.67 -45.74 91.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.498 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.58 -44.67 95.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.739 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -58.26 -42.08 85.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.314 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -39.61 94.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.447 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.638 ' HH ' HH11 ' A' ' 30' ' ' ARG . 0.1 OUTLIER -59.32 -45.55 91.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.658 -179.444 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.364 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.1 -42.3 99.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.665 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -58.94 -47.18 85.98 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.595 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 77.0 mtm -67.87 -36.79 80.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.602 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -61.39 -47.88 83.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.163 0.506 . . . . 0.0 110.401 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.04 -42.02 97.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.474 ' CE2' ' OE1' ' A' ' 104' ' ' GLU . 78.9 t80 -53.97 -46.78 71.76 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.265 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.464 ' O ' ' SD ' ' A' ' 114' ' ' MET . . . -62.13 -45.14 94.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.734 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -62.57 -37.14 85.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.172 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.69 -41.33 97.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.424 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.474 ' OE1' ' CE2' ' A' ' 100' ' ' TYR . 45.1 mt-10 -65.36 -37.12 86.09 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.655 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.2 -44.16 96.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.615 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -62.08 -35.34 78.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.03 -13.5 58.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.533 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.1 26.93 57.06 Favored Glycine 0 CA--C 1.518 0.243 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -133.72 138.61 45.91 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.796 0.331 . . . . 0.0 110.256 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -124.17 136.88 54.5 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.973 0.415 . . . . 0.0 110.226 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -138.73 164.92 28.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.459 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -58.96 -19.12 40.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.544 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -66.02 -37.59 86.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.603 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.489 ' O ' ' OG ' ' A' ' 117' ' ' SER . 5.7 tpp -58.46 -46.76 85.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.615 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 62.7 mt -64.02 -44.41 97.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.33 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.94 -40.16 96.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' A' ' 114' ' ' MET . 62.8 p -62.14 -46.25 89.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.638 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -62.66 -42.27 99.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -62.58 -42.42 99.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.252 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 92.1 m -62.45 -42.66 99.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.277 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.7 89.29 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.383 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.0 t -58.26 -40.72 82.56 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.444 0.64 . . . . 0.0 110.262 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.29 -43.22 92.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.482 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.44 -39.69 94.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.278 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 39.9 mm -54.06 -46.18 65.94 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.078 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.498 ' O ' ' OG1' ' A' ' 129' ' ' THR . 12.4 m-20 -57.71 -47.97 80.89 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.845 0.831 . . . . 0.0 110.343 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 43.8 t -54.1 -27.28 16.2 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.085 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 97.8 mt -83.4 -33.82 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.25 0.548 . . . . 0.0 110.361 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 75.7 p -62.05 -23.71 66.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.916 0.389 . . . . 0.0 110.475 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.2 m -53.86 -33.15 23.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.53 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.567 ' CZ ' ' SG ' ' A' ' 87' ' ' CYS . 57.9 m-85 -63.41 -6.01 4.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.49 2.05 78.61 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -126.07 138.57 53.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 6.4 mt -127.23 140.83 51.96 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.968 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 10.6 p -90.14 160.96 15.99 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.36 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.9 -41.93 98.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.066 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -69.06 -38.11 78.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.599 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -59.28 -48.39 81.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.452 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.11 -44.29 95.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.342 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -62.9 -43.03 99.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.693 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.93 -42.08 93.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -57.09 -51.34 69.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.308 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -63.48 -43.31 97.64 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.418 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.491 ' OH ' ' NZ ' ' A' ' 148' ' ' LYS . 76.2 t80 -60.56 -46.48 90.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.249 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.59 95.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.686 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -60.77 -45.1 95.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.481 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -68.64 -50.85 48.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.609 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.491 ' NZ ' ' OH ' ' A' ' 144' ' ' TYR . 7.7 mmtp -59.09 -45.57 90.52 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.924 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.16 78.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.341 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 25.3 m -70.09 -45.04 67.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -57.73 -48.69 78.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.472 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.5 -44.13 99.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.448 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -64.27 -44.1 92.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.396 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -64.37 -41.29 96.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.783 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 5.5 m -59.09 -47.77 84.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.428 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.76 -41.02 98.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.8 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -62.0 -39.26 91.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.511 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -80.24 -5.32 55.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.529 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 76.04 32.86 51.71 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -114.65 139.2 49.84 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.963 0.411 . . . . 0.0 110.498 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.88 118.76 71.02 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.58 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.75 151.17 15.58 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.611 2.207 . . . . 0.0 112.27 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 163' ' ' GLN . 1.7 pm0 . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.485 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.488 ' CD1' HH22 ' A' ' 39' ' ' ARG . 4.9 mt . . . . . 0 CA--C 1.517 -0.311 0 CA-C-O 120.916 0.389 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.32 148.28 80.44 Favored Pre-proline 0 CA--C 1.537 0.478 0 C-N-CA 120.244 -0.583 . . . . 0.0 110.487 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.05 138.48 21.79 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.509 2.139 . . . . 0.0 112.577 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.491 ' CD1' ' NE2' ' A' ' 66' ' ' GLN . 6.2 mp -89.35 156.15 48.52 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.474 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -69.42 163.0 39.66 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.157 1.904 . . . . 0.0 112.101 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -50.28 128.14 22.0 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.427 2.085 . . . . 0.0 112.042 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tt -78.41 116.63 60.76 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.91 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.39 157.95 48.82 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.39 2.06 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 -34.67 72.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.655 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -54.96 -18.92 5.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -115.35 21.87 13.73 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.02 0.438 . . . . 0.0 110.628 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -13.14 62.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.5 m -72.46 -16.61 61.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.706 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.6 pt -126.91 23.02 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.049 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -61.55 -45.67 93.17 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -71.29 -32.09 68.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -60.07 -64.85 0.8 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.102 0.477 . . . . 0.0 111.105 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -38.67 80.9 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.375 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -55.89 -42.17 75.54 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 m -61.98 -45.26 94.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.148 0.499 . . . . 0.0 109.909 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.91 78.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.844 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.471 ' O ' ' OD2' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -61.11 -45.93 92.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.855 -179.678 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -78.07 -27.16 48.52 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -82.27 -16.96 47.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.455 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -47.12 -41.86 18.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.159 0.504 . . . . 0.0 110.462 -179.434 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -83.62 -43.2 15.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.517 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.23 -48.24 82.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.994 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -155.64 114.56 2.23 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.942 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.88 -30.63 16.78 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.215 1.944 . . . . 0.0 112.205 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.45 -45.26 96.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.489 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.4 t -64.23 -44.33 97.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.336 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.08 86.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 31.2 t80 -60.14 -50.89 71.92 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.911 0.386 . . . . 0.0 110.783 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -66.69 -42.54 86.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.794 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.6 m -59.33 -41.98 90.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.488 HH22 ' CD1' ' A' ' 4' ' ' LEU . 95.1 mtt180 -64.69 -36.7 85.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.468 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.8 tp -59.16 -49.22 78.69 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.675 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -62.37 -44.28 96.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.055 0.455 . . . . 0.0 110.825 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.23 78.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.058 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.574 ' SD ' ' SD ' ' A' ' 64' ' ' MET . 5.4 mtm -62.76 -58.29 7.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.537 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -42.72 -48.09 5.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.964 0.411 . . . . 0.0 110.545 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.6 m -65.84 -43.86 87.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.66 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -54.76 -60.45 8.67 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 23.2 ptp -55.74 -36.36 67.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.672 0.272 . . . . 0.0 110.399 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -56.7 -37.01 70.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.076 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.7 mt -75.6 -70.0 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.0 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -115.92 107.94 15.63 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.054 0.454 . . . . 0.0 109.885 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 p -54.15 -83.51 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.358 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -135.46 97.72 3.76 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -107.76 131.44 21.73 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.055 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -38.13 -35.87 0.45 Allowed 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.152 1.901 . . . . 0.0 112.66 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -86.32 -60.17 2.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 58.1 m -57.48 -29.05 63.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.605 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -42.49 -36.04 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.246 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -63.22 -49.58 73.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.61 -49.01 79.26 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.997 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.15 -42.51 98.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.778 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.4 t -63.74 -53.57 48.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.913 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -43.96 97.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.284 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.5 tp -61.22 -43.65 98.53 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 119.901 -0.719 . . . . 0.0 110.271 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.574 ' SD ' ' SD ' ' A' ' 43' ' ' MET . 8.4 mmt -63.83 -41.19 97.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.374 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -65.11 -28.9 69.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.007 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.491 ' NE2' ' CD1' ' A' ' 7' ' ' LEU . 10.9 mt-30 -69.44 -43.17 73.86 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.078 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 tp -62.76 -45.02 94.61 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.983 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.22 -29.83 70.91 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.02 0.438 . . . . 0.0 110.171 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.01 -41.24 91.29 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.254 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.51 -41.1 98.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.951 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 75' ' ' GLY . 36.3 ttmt -60.68 -44.62 96.29 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.928 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -67.79 -35.66 79.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -57.85 -50.94 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.669 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.8 mt -89.16 -37.26 15.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.992 0.425 . . . . 0.0 110.728 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . 66.93 -93.06 0.21 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -95.91 87.46 4.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 110.887 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.414 ' O ' ' OG1' ' A' ' 81' ' ' THR . 22.1 t-20 -115.21 143.24 45.55 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.031 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -60.15 -40.45 89.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.405 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.67 -41.71 71.71 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.247 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mm -68.91 -43.67 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.559 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 77' ' ' ASN . 20.4 p -69.85 -45.37 67.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.029 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -102.95 115.97 31.63 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.255 0.55 . . . . 0.0 110.813 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.69 -34.21 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.535 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 pt -63.53 -42.71 97.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.537 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.99 -46.66 95.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.971 0.415 . . . . 0.0 110.112 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.17 -35.61 92.31 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.34 -49.54 75.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.814 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.21 82.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.533 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -59.75 -49.62 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.51 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.99 -44.63 95.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.988 0.423 . . . . 0.0 110.403 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.24 -46.09 76.02 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.617 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.481 ' C ' HD21 ' A' ' 92' ' ' ASN . 0.1 OUTLIER -61.17 -39.31 89.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.908 0.385 . . . . 0.0 110.438 -179.692 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -51.72 68.62 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.091 0.472 . . . . 0.0 110.773 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.86 -36.11 74.05 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.45 -40.67 97.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.4 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -47.45 85.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -69.41 -37.56 77.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.752 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -58.44 -48.3 81.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.956 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.65 -40.95 93.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.843 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.48 -46.12 89.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.763 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.402 ' CB ' ' CE2' ' A' ' 118' ' ' PHE . . . -61.87 -46.25 90.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.056 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -62.28 -44.0 97.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.038 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -62.4 -43.73 98.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.01 0.434 . . . . 0.0 110.843 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.523 ' CD ' HD22 ' A' ' 113' ' ' ASN . 75.9 tt0 -62.32 -37.98 87.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.51 -47.3 84.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.774 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -67.95 -17.67 64.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.395 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.42 -22.02 65.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.437 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 97.63 1.96 58.78 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -129.25 151.86 49.45 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.734 0.302 . . . . 0.0 110.196 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.514 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 0.5 OUTLIER -132.05 144.03 50.47 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.5 -179.072 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -146.86 160.9 41.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.231 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -55.73 -23.44 29.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.523 HD22 ' CD ' ' A' ' 104' ' ' GLU . 28.3 p-10 -60.26 -39.9 88.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.726 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.472 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 30.1 ttm -61.01 -42.66 98.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.686 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.66 -44.67 98.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.49 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -63.9 -38.81 92.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.4 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.4 t -62.09 -46.99 86.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.434 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.402 ' CE2' ' CB ' ' A' ' 101' ' ' ALA . 1.1 m-85 -67.34 -41.85 84.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -58.37 -42.09 86.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.047 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 35.6 m -63.91 -43.62 95.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.727 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.45 -48.14 79.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.6 m -58.98 -42.71 90.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.954 0.406 . . . . 0.0 110.431 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.26 -44.94 95.39 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.976 0.417 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.9 tp -63.17 -39.51 94.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.313 0.577 . . . . 0.0 109.987 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 54.5 mt -56.86 -42.22 77.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.558 ' O ' ' OG1' ' A' ' 129' ' ' THR . 87.7 m-20 -60.8 -41.94 96.62 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 122.411 1.101 . . . . 0.0 109.328 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.403 ' O ' HG21 ' A' ' 130' ' ' VAL . 57.6 t -60.05 -25.9 34.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.742 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.417 HG22 HD12 ' A' ' 128' ' ' ILE . 96.7 mt -85.22 -26.63 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 121.25 0.548 . . . . 0.0 110.684 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.558 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 41.1 p -66.13 -31.0 71.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.57 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 127' ' ' VAL . 16.6 m -54.24 -21.83 6.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.75 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -62.42 -43.24 99.3 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.399 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.31 -22.12 14.12 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 2.8 pm0 -111.3 117.65 33.73 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 120.772 0.32 . . . . 0.0 110.168 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.71 126.2 26.86 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.704 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.83 161.87 25.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.304 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 137' ' ' GLU . 18.3 p-10 -63.39 -46.14 87.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.745 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 136' ' ' ASP . 73.4 tt0 -46.62 -56.45 6.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.271 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.455 ' N ' HD21 ' A' ' 138' ' ' ASN . 1.6 m120 -58.7 -40.71 84.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.383 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.38 -42.06 94.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.948 0.404 . . . . 0.0 110.2 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -58.55 -39.2 79.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.147 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -65.16 -38.88 91.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.575 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -57.68 -57.37 13.04 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -64.84 -38.66 91.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.017 0.437 . . . . 0.0 110.434 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -59.38 -46.25 89.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.428 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.55 -40.97 93.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.086 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -53.49 -45.71 69.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.905 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -75.0 -47.19 30.35 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.048 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -60.65 -47.27 87.01 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.16 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.39 -50.67 70.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.619 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 18.2 m -65.13 -43.21 92.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -57.41 -52.35 65.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.22 -44.34 95.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.669 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . 0.506 ' CD2' ' NZ ' ' A' ' 157' ' ' LYS . 85.7 t60 -56.28 -45.95 79.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.764 0.316 . . . . 0.0 110.785 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.57 ' N ' HD21 ' A' ' 154' ' ' ASN . 1.7 m120 -65.39 -37.37 86.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 66.3 m -61.31 -51.11 70.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.222 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.37 -39.67 95.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.303 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.506 ' NZ ' ' CD2' ' A' ' 153' ' ' HIS . 3.6 ttpm? -62.33 -32.03 72.75 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.8 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -86.23 -11.94 51.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 83.25 25.87 46.24 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -112.69 141.49 46.42 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.064 0.459 . . . . 0.0 110.479 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 4.5 m -78.56 129.26 74.91 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.728 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.85 168.35 23.24 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.553 2.168 . . . . 0.0 112.3 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.21 179.855 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.894 0.378 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.77 153.36 88.13 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.578 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.02 149.98 77.45 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.71 2.274 . . . . 0.0 111.871 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mp -104.34 153.55 38.96 Favored Pre-proline 0 C--O 1.234 0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.059 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.77 163.84 1.19 Allowed 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.295 1.997 . . . . 0.0 112.016 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.7 135.98 49.68 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.951 2.434 . . . . 0.0 112.013 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -75.39 119.12 75.56 Favored Pre-proline 0 N--CA 1.445 -0.685 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.287 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.97 156.14 38.65 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.624 2.216 . . . . 0.0 112.005 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.16 -25.97 59.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.476 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.54 -43.26 94.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.652 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.7 m-30 -85.06 10.34 12.26 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.113 0.482 . . . . 0.0 110.763 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -59.31 -28.12 66.49 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.611 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.9 p -69.54 -14.42 62.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.25 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.428 HD12 HG23 ' A' ' 17' ' ' ILE . 41.9 pt -122.53 23.4 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.565 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -66.88 -54.21 24.54 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.865 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -68.34 -20.51 64.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.414 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.475 ' CD2' ' CE2' ' A' ' 41' ' ' TYR . 18.9 m80 -69.79 -65.67 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.045 0.45 . . . . 0.0 111.05 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.17 -34.72 78.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.606 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -60.42 -46.88 88.43 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.949 0.404 . . . . 0.0 110.721 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.4 m -68.47 -30.19 68.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.392 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.37 -57.06 14.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -62.36 -38.93 91.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.549 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -60.47 -51.23 70.35 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.718 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' ARG . 1.6 m80 -61.72 -37.13 83.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.682 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -42.68 -33.2 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.3 -42.64 99.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.424 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' HIS . 26.0 mmt180 -85.96 -52.29 5.81 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.993 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -135.53 120.62 13.6 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.629 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.86 -28.1 9.72 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.65 2.234 . . . . 0.0 112.084 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -62.27 -45.4 98.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.3 t -60.31 -44.77 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.103 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.69 -50.46 73.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.522 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -47.78 -58.54 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.798 0.333 . . . . 0.0 110.893 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -62.04 -46.06 90.83 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.173 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 94.3 m -57.06 -36.69 70.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.183 0.516 . . . . 0.0 110.183 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -41.91 92.2 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.363 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.3 tp -56.87 -41.64 78.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.848 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.533 ' CD1' ' OD1' ' A' ' 126' ' ' ASP . 51.7 t80 -60.73 -46.92 88.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.224 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.69 -42.81 89.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.562 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.492 ' O ' ' SD ' ' A' ' 47' ' ' MET . 30.3 mtt -53.98 -60.8 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.454 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 97.7 mt-30 -48.33 -53.17 18.39 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.41 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.6 p -62.04 -41.94 98.64 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.908 0.385 . . . . 0.0 111.271 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.72 -50.53 66.58 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 121.072 -0.585 . . . . 0.0 111.683 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -79.47 -9.56 59.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.908 0.385 . . . . 0.0 110.828 -179.543 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 64.7 tttm -70.64 -45.43 65.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.38 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 88.7 mt -57.7 -47.55 85.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.382 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 51' ' ' SER . 96.7 m-20 -126.37 -94.63 0.46 Allowed 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 2.0 m 159.46 -79.96 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.648 0.592 . . . . 0.0 110.527 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.5 pttt -136.49 94.1 2.96 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.344 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.1 m -101.97 131.84 22.27 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.933 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -41.4 -31.68 1.11 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.564 2.176 . . . . 0.0 112.273 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -84.07 -60.06 2.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.978 0.418 . . . . 0.0 110.449 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' PHE . 60.0 m -58.8 -23.03 59.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.609 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -40.52 -41.74 1.5 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.542 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -65.11 -40.8 95.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.337 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' CYS . 32.3 t80 -63.75 -46.76 83.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.452 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.517 ' O ' ' SD ' ' A' ' 64' ' ' MET . 95.5 mt -63.84 -43.67 95.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.981 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 t -59.22 -48.57 81.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.774 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -66.29 -42.82 87.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.54 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.3 tp -61.66 -43.88 98.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.337 0.589 . . . . 0.0 110.88 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -62.88 -38.25 90.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.312 179.227 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.19 -34.79 78.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.173 0.511 . . . . 0.0 110.404 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -64.98 -43.07 93.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.7 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.84 -49.55 75.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.587 0.708 . . . . 0.0 111.336 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -65.12 -30.06 70.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.063 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.12 97.12 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.029 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.37 -38.96 92.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.332 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -57.33 -50.88 71.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.404 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -66.3 -40.9 90.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.818 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -50.94 -50.05 58.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.586 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.6 mt -76.48 -46.38 27.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.26 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.13 -90.55 1.21 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -100.49 92.43 5.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.774 0.321 . . . . 0.0 110.722 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 78' ' ' GLU . 54.1 t-20 -128.42 133.95 48.68 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.606 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -63.21 -43.11 99.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.508 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.47 96.32 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.872 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.7 mm -73.25 -44.1 55.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.202 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 35.4 p -74.23 -25.57 59.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.952 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 78' ' ' GLU . 69.7 mt-30 -126.26 113.0 16.38 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.396 0.617 . . . . 0.0 110.458 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.574 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 1.4 pm0 -69.3 -35.2 75.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.334 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.0 pt -60.23 -40.73 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.61 -46.26 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.957 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.83 -36.21 92.43 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.299 -1.121 . . . . 0.0 110.299 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.09 -45.17 93.81 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.412 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.7 -36.52 83.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -65.75 -46.94 76.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.466 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.58 -44.07 97.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.516 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -44.58 87.2 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.518 -179.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.548 ' C ' HD21 ' A' ' 92' ' ' ASN . 0.1 OUTLIER -64.33 -40.83 96.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.288 -179.69 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.497 ' O ' ' SD ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -57.33 -47.67 80.95 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.938 -178.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.03 -37.43 84.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.198 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.13 -43.91 87.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.803 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.3 -44.35 95.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.454 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' A' ' 93' ' ' TYR . 2.8 mpp? -66.26 -42.27 88.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -61.93 -49.31 76.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.498 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.12 -41.08 99.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -53.36 -54.16 40.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.496 -178.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.71 -49.87 69.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.981 0.42 . . . . 0.0 110.771 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -56.04 -41.42 75.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.209 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -63.54 -43.37 97.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.621 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -65.8 -34.21 77.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.053 0.454 . . . . 0.0 110.185 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.78 -41.27 78.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.167 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -66.25 -26.04 67.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.477 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.44 -25.48 67.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.432 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.88 -12.83 57.74 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 109' ' ' ARG . 10.0 ptp180 -98.83 136.28 39.08 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -113.06 140.53 47.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.035 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -141.79 162.55 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.539 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -30.33 70.84 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.188 0.518 . . . . 0.0 110.525 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.595 ' OD1' ' N ' ' A' ' 114' ' ' MET . 38.4 p30 -57.95 -24.67 59.0 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.086 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.595 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 3.3 tpp -65.7 -45.79 81.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.717 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.44 -43.3 98.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -38.98 92.2 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.748 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.1 m -61.92 -46.94 87.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.738 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -61.53 -43.77 98.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -55.87 -41.75 74.88 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.898 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.7 m -62.11 -43.18 99.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.398 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.48 -53.96 49.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.704 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.9 m -58.6 -38.23 77.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.097 0.475 . . . . 0.0 110.616 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.548 ' O ' ' OD2' ' A' ' 126' ' ' ASP . 4.3 tp -61.1 -43.74 98.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.764 0.792 . . . . 0.0 110.183 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.06 -39.18 93.96 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 121.563 0.696 . . . . 0.0 110.467 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.4 mp -55.39 -47.66 77.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.216 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.583 ' O ' ' OG1' ' A' ' 129' ' ' THR . 0.9 OUTLIER -59.29 -39.69 83.77 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-O 122.474 1.13 . . . . 0.0 109.962 -178.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.519 ' N ' ' OD1' ' A' ' 126' ' ' ASP . 97.5 t -59.12 -28.26 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.75 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 90.4 mt -82.26 -35.33 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.358 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.583 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 48.7 p -55.95 -27.1 50.92 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.198 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.7 m -52.41 -33.52 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.373 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -69.01 -35.86 77.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.47 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 101.48 -6.9 55.72 Favored Glycine 0 N--CA 1.464 0.527 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.79 109.16 20.78 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.693 0.282 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.81 131.45 49.56 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.29 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -96.79 170.67 9.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.344 179.11 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.415 ' N ' ' OG1' ' A' ' 135' ' ' THR . 98.2 m-20 -64.78 -38.21 90.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.804 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 137' ' ' GLU . 0.4 OUTLIER -57.29 -52.66 64.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.967 -178.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -62.05 -39.89 93.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.718 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.09 -45.21 95.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.186 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -63.35 -40.61 97.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -58.35 -48.3 81.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.789 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -63.49 -48.68 76.6 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.95 -44.03 97.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.789 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -66.28 -43.15 87.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.323 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.14 -46.22 88.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -61.24 -48.94 79.17 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.229 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 53.8 m0 -65.38 -49.17 70.33 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.741 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -63.04 -47.49 82.78 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 123.464 0.478 . . . . 0.0 111.257 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -53.43 -57.2 11.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.85 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 85.9 m -63.29 -42.09 99.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.448 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.452 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 85.8 t80 -57.97 -47.64 82.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.705 -178.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.41 HD11 HG23 ' A' ' 152' ' ' ILE . 95.3 mt -63.34 -44.36 99.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.657 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -57.94 -47.39 83.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.61 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.442 ' N ' HD21 ' A' ' 154' ' ' ASN . 2.8 m120 -65.21 -38.86 91.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.588 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 90.8 m -62.15 -49.22 76.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.037 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.74 -40.79 98.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.585 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -63.13 -31.82 73.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.706 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 154' ' ' ASN . 2.4 m120 -88.54 2.92 52.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.395 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 77.75 -0.9 69.52 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -91.22 148.82 22.08 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.8 0.333 . . . . 0.0 110.507 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 47.0 p -93.48 143.98 27.51 Favored Pre-proline 0 N--CA 1.448 -0.532 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.459 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.02 162.47 38.95 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.863 2.376 . . . . 0.0 112.263 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.35 179.278 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 CA--C 1.518 -0.261 0 CA-C-O 120.877 0.37 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.408 ' O ' ' NE2' ' A' ' 66' ' ' GLN . . . -60.11 149.57 74.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.593 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.02 151.35 82.14 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 122.706 2.271 . . . . 0.0 111.935 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.433 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 7.1 mp -96.42 150.59 37.27 Favored Pre-proline 0 N--CA 1.454 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.877 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -49.25 165.38 0.23 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.497 2.131 . . . . 0.0 111.39 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.17 134.81 62.19 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.856 2.371 . . . . 0.0 111.771 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tp -76.61 116.6 58.05 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.828 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.49 154.24 40.07 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.443 2.096 . . . . 0.0 112.157 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.21 -26.11 64.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -66.11 -32.39 73.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.897 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.402 ' C ' ' N ' ' A' ' 16' ' ' SER . 3.2 m-85 -93.11 -7.93 44.13 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.554 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -44.93 -23.85 0.17 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.784 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 14' ' ' PHE . 65.8 p -61.04 -34.81 75.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.512 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.2 pt -105.11 22.51 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.922 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -62.15 -37.3 84.65 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.635 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -68.1 -37.72 81.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -55.93 -61.86 2.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.271 0.558 . . . . 0.0 111.264 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -48.65 80.16 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.262 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -54.4 -47.81 72.31 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.274 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 18.5 m -64.01 -45.73 87.64 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.744 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.01 -30.52 71.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -62.18 -47.38 84.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' OE2' ' N ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -81.45 -16.43 52.02 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.763 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.524 ' N ' ' OE2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -84.6 -17.96 37.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.678 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -59.96 -40.72 90.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.754 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -84.5 -8.67 58.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.18 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -99.39 -46.89 5.35 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -158.46 100.71 1.7 Allowed Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.486 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -51.82 -33.19 49.72 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.721 2.281 . . . . 0.0 112.071 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.22 -45.34 98.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.488 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.1 t -62.58 -44.96 99.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.222 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.13 97.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -55.07 -53.45 55.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.968 0.414 . . . . 0.0 110.583 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.464 ' OH ' ' O ' ' A' ' 79' ' ' ALA . 51.7 m-85 -68.59 -42.64 77.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.12 0.486 . . . . 0.0 110.93 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.5 t -55.24 -44.32 75.38 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.24 0.543 . . . . 0.0 110.339 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -43.68 98.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.873 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.4 tp -50.8 -46.07 59.57 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.016 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -60.54 -47.25 86.99 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 119.49 -0.884 . . . . 0.0 110.193 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.49 -36.21 63.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.539 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.509 ' O ' ' SD ' ' A' ' 47' ' ' MET . 50.6 mtt -62.63 -63.55 1.19 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.599 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -43.21 -54.52 4.46 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.885 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.3 m -68.49 -42.54 78.5 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.84 0.352 . . . . 0.0 111.423 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -58.48 -54.07 40.73 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 121.226 -0.512 . . . . 0.0 111.966 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.1 OUTLIER -66.58 -29.08 69.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.722 -0.281 . . . . 0.0 110.467 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -58.44 -45.08 89.24 Favored 'General case' 0 C--O 1.231 0.095 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.188 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.9 mt -65.96 -44.33 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.578 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -143.25 110.72 5.81 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.8 m -56.53 -63.72 1.1 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.687 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -156.94 99.64 1.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.592 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.517 HG23 ' H ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER -106.79 157.8 34.32 Favored Pre-proline 0 N--CA 1.465 0.283 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -36.82 -45.31 1.21 Allowed 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.669 2.246 . . . . 0.0 112.44 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 57' ' ' ARG . 24.4 mp0 -86.9 -65.37 1.02 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 111.084 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.517 ' H ' HG23 ' A' ' 53' ' ' THR . 70.8 m -40.8 -22.76 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.795 0.331 . . . . 0.0 110.501 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 55' ' ' GLU . 1.5 tmt_? -51.36 -57.73 8.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.001 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -66.03 -30.54 71.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.631 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -63.59 -48.35 77.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.515 ' O ' ' SD ' ' A' ' 64' ' ' MET . 78.3 mt -65.66 -40.77 92.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.6 m -57.45 -50.69 72.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.933 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -67.86 -39.15 83.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.045 0.45 . . . . 0.0 111.02 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.2 tp -59.97 -46.85 88.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.222 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.594 ' N ' ' SD ' ' A' ' 64' ' ' MET . 0.0 OUTLIER -64.93 -40.32 94.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.915 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -65.17 -36.17 83.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.301 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -59.25 -52.17 66.8 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.571 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -39.52 95.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.214 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.13 -42.13 94.13 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.977 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.37 90.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.953 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.1 mt -61.61 -41.0 96.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.524 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -59.62 -49.7 76.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.381 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -65.6 -38.66 90.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.747 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -52.41 -55.85 18.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.298 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.0 mt -74.68 -44.39 50.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.93 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.43 -101.09 2.65 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -102.07 88.37 3.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.471 0.176 . . . . 0.0 110.788 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.07 139.73 49.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.398 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.416 ' OE2' ' NE2' ' A' ' 82' ' ' GLN . 2.2 tp10 -67.23 -36.56 81.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.195 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.464 ' O ' ' OH ' ' A' ' 37' ' ' TYR . . . -79.05 1.04 25.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.667 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mm -120.93 -21.21 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.728 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 p -99.61 -28.51 13.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.766 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.416 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 74.5 mt-30 -112.14 118.58 35.76 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.951 0.405 . . . . 0.0 110.398 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.89 -37.69 82.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.061 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 85' ' ' VAL . 1.2 pt -62.5 -44.88 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.877 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.428 ' H ' HG13 ' A' ' 84' ' ' ILE . 59.5 t -63.14 -43.94 99.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.94 -42.59 99.76 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.553 ' SG ' ' CD2' ' A' ' 131' ' ' PHE . 19.7 m -61.54 -37.67 84.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.866 0.365 . . . . 0.0 110.14 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.57 89.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.574 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -61.27 -45.34 94.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.104 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.41 -42.87 98.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.58 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.04 -46.81 78.75 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.445 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.411 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -64.05 -40.11 95.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.685 -179.606 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -60.84 -45.82 92.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.793 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.6 85.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.891 0.377 . . . . 0.0 110.177 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.89 -42.35 97.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.01 -46.83 88.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.227 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -66.34 -36.82 83.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.05 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -58.86 -48.46 81.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.052 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.7 mt -68.68 -37.13 79.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.308 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -55.95 -50.76 69.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.047 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.31 -45.47 91.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.357 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -61.0 -40.37 93.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.449 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -61.03 -40.41 93.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.259 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.452 ' OE1' ' NE2' ' A' ' 111' ' ' HIS . 14.7 mm-40 -61.64 -40.39 94.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.467 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.477 ' OD1' ' CE ' ' A' ' 114' ' ' MET . 1.9 m-20 -62.86 -43.59 98.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -62.54 -40.56 97.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.19 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.83 -19.81 66.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.16 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.84 30.86 25.25 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.421 ' HG2' HH11 ' A' ' 109' ' ' ARG . 29.9 mtt-85 -122.8 132.03 54.03 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -127.11 133.83 50.33 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.258 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.677 ' HD1' ' H ' ' A' ' 114' ' ' MET . 4.9 p80 -150.84 172.64 15.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.616 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -61.0 -37.41 82.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.649 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.51 -35.58 65.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.212 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.677 ' H ' ' HD1' ' A' ' 111' ' ' HIS . 1.6 ttp -61.97 -40.61 96.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.123 0.487 . . . . 0.0 110.498 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 11.2 mm -66.05 -43.71 92.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.416 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -66.63 -37.48 84.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.371 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.1 t -57.87 -44.73 86.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.942 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -63.42 -45.28 91.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.41 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -62.51 -42.57 99.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.274 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.4 m -61.29 -45.55 94.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.647 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.29 78.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.5 t -62.75 -41.53 99.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.522 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.88 -44.67 96.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.349 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.78 -43.15 99.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.944 0.878 . . . . 0.0 110.331 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 67.7 mt -55.84 -41.87 68.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.57 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.503 ' O ' ' OG1' ' A' ' 129' ' ' THR . 33.3 m-20 -59.52 -43.44 93.42 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.674 0.75 . . . . 0.0 110.015 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.421 ' O ' ' CG2' ' A' ' 130' ' ' VAL . 91.9 t -54.64 -28.73 19.8 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.255 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 55.0 mt -78.16 -33.46 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 121.219 0.533 . . . . 0.0 110.4 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 72.4 p -62.84 -26.13 68.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.679 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.43 ' CG2' ' N ' ' A' ' 131' ' ' PHE . 6.2 m -51.7 -39.89 25.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.553 ' CD2' ' SG ' ' A' ' 87' ' ' CYS . 97.2 m-85 -64.01 -39.98 95.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.852 0.358 . . . . 0.0 110.639 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.86 -21.16 18.95 Favored Glycine 0 N--CA 1.465 0.58 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -89.8 113.21 24.73 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.507 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.99 124.45 23.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.967 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.639 ' CG2' HD21 ' A' ' 138' ' ' ASN . 1.3 t -82.9 159.21 22.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.357 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -62.08 -35.86 79.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.669 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -53.29 -54.0 42.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.122 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.639 HD21 ' CG2' ' A' ' 135' ' ' THR . 52.3 m-80 -61.78 -41.16 97.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.737 0.304 . . . . 0.0 110.837 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.521 ' CG1' ' HZ3' ' A' ' 143' ' ' LYS . 92.9 t -60.63 -46.6 95.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.762 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -62.63 -44.28 96.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.813 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -67.96 -31.72 71.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.407 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -62.84 -49.3 75.45 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.906 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.521 ' HZ3' ' CG1' ' A' ' 139' ' ' VAL . 64.4 mttp -63.52 -40.9 98.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.484 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.19 -46.5 88.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.18 90.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.686 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -60.87 -48.61 81.01 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.409 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -70.54 -41.28 72.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.079 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -59.48 -40.86 88.33 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.608 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -69.51 -48.24 61.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.043 0.449 . . . . 0.0 110.8 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 7.4 m -64.76 -42.07 95.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.808 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -58.53 -49.77 76.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.668 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 93.6 mt -66.16 -44.2 91.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.826 0.346 . . . . 0.0 110.789 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -57.09 -48.25 79.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.702 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.05 -43.03 93.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.87 0.367 . . . . 0.0 110.799 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 160' ' ' GLU . 0.0 OUTLIER -56.23 -48.41 76.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.943 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 44.3 mt -64.11 -35.8 81.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.368 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -61.77 -32.23 72.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.624 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -92.64 9.45 34.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 61.02 39.37 96.98 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.468 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 56.6 mm-40 -114.25 152.73 30.85 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.774 0.321 . . . . 0.0 110.458 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 27.8 m -84.25 123.27 75.33 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.38 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.21 160.35 42.54 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.583 2.188 . . . . 0.0 112.166 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.48 179.742 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.7 mt . . . . . 0 N--CA 1.463 0.196 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.32 154.51 88.1 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.56 144.91 86.27 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.97 2.447 . . . . 0.0 111.43 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 7' ' ' LEU . 3.4 mm? -91.34 146.27 33.07 Favored Pre-proline 0 C--N 1.328 -0.354 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.201 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -55.07 172.5 0.37 Allowed 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.198 1.932 . . . . 0.0 112.358 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.09 137.46 53.91 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.37 2.047 . . . . 0.0 111.208 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.78 115.97 61.47 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.981 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.22 163.23 25.25 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.347 2.032 . . . . 0.0 112.152 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.5 -26.5 67.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.201 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -57.34 -38.07 73.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.714 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -105.91 42.19 1.29 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.007 0.432 . . . . 0.0 111.031 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -78.73 -28.97 45.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.345 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.5 m -69.55 -41.94 75.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.351 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.4 pt -90.21 10.79 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.619 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -58.76 -49.29 78.18 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.456 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.414 ' O ' ' OG1' ' A' ' 23' ' ' THR . 10.8 m80 -67.55 -33.63 75.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.958 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.48 ' CD2' ' CD1' ' A' ' 41' ' ' TYR . 45.6 m80 -59.3 -64.14 1.05 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.662 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.86 -39.01 90.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.665 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -58.83 -44.64 90.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.154 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 19' ' ' HIS . 32.6 m -60.71 -43.19 98.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.296 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.17 89.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.543 ' CD ' HH22 ' A' ' 39' ' ' ARG . 8.0 mm100 -53.62 -41.65 66.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.975 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -71.26 -46.86 60.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.776 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' ASP . 33.5 m80 -65.27 -17.62 64.65 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.836 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -60.19 -38.56 83.63 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.351 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -74.35 -43.77 55.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -78.05 -52.09 9.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.251 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 27' ' ' HIS . 1.1 m-20 -135.17 110.38 10.73 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.309 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.54 -33.21 8.86 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.928 1.752 . . . . 0.0 112.016 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.87 -45.5 96.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.444 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.09 -43.91 97.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.515 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.77 75.33 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.579 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -52.72 -50.91 62.47 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.829 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -65.65 -43.75 88.47 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.073 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 98.4 m -59.94 -39.91 87.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.703 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.543 HH22 ' CD ' ' A' ' 25' ' ' GLN . 91.6 mtt-85 -64.15 -38.68 91.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.396 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.85 -43.75 90.85 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.48 ' CD1' ' CD2' ' A' ' 20' ' ' HIS . 41.2 t80 -60.77 -45.46 94.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.88 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.702 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.509 ' O ' ' SD ' ' A' ' 47' ' ' MET . 47.3 mtt -60.62 -62.03 2.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.522 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -44.58 -49.15 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.529 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -66.54 -34.92 78.99 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.117 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.78 -60.77 6.54 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.783 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -60.71 -35.61 76.74 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.775 0.322 . . . . 0.0 110.274 -179.682 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -59.65 -47.05 87.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.377 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.8 mt -70.03 -57.35 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.888 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -120.46 121.59 38.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.075 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.8 m -58.52 -94.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.296 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -142.63 106.62 4.71 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.126 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 m -97.85 129.75 30.5 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -39.8 -31.02 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.032 1.821 . . . . 0.0 112.616 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -84.52 -41.99 15.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 59' ' ' PHE . 74.7 m -79.53 -21.56 45.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -41.62 -46.3 3.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.049 0.452 . . . . 0.0 110.541 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.3 -39.35 92.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.179 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' CYS . 27.8 t80 -61.23 -49.07 78.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.793 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.88 -41.99 99.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.603 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.0 m -60.77 -48.15 83.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.51 -35.58 81.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.988 0.423 . . . . 0.0 110.647 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.81 -47.98 81.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.58 0.705 . . . . 0.0 110.954 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.518 ' N ' ' SD ' ' A' ' 64' ' ' MET . 0.0 OUTLIER -64.37 -32.26 73.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.664 178.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.28 -39.96 92.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.432 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.523 ' OE1' ' NH1' ' A' ' 39' ' ' ARG . 72.6 mt-30 -65.36 -36.67 84.7 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.244 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 tt -57.96 -51.92 67.65 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.982 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.447 ' HA ' ' HZ2' ' A' ' 71' ' ' LYS . 11.6 pt-20 -67.42 -33.41 75.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.266 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.74 78.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.422 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.14 -41.44 97.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.626 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.447 ' HZ2' ' HA ' ' A' ' 68' ' ' GLU . 4.6 ttpm? -59.03 -46.24 88.7 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.588 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.81 -38.61 86.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.321 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -52.56 -56.02 18.14 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.523 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.8 mt -77.36 -41.88 38.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.977 0.418 . . . . 0.0 110.695 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.69 -103.16 1.14 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -83.5 83.89 7.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.84 0.352 . . . . 0.0 110.608 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.97 132.84 56.1 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.805 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.07 -41.65 97.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.113 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.92 -40.12 91.15 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.036 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.6 mm -69.69 -43.94 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 0.0 110.566 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.8 p -73.1 -47.72 41.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.062 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -98.42 121.95 41.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.386 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.491 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 5.4 pm0 -69.94 -36.86 75.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.943 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.469 ' CG1' ' N ' ' A' ' 85' ' ' VAL . 6.2 pt -60.06 -44.82 95.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.273 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.469 ' N ' ' CG1' ' A' ' 84' ' ' ILE . 77.6 t -63.15 -46.38 96.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.014 0.435 . . . . 0.0 109.907 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.41 -40.66 97.96 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 83' ' ' GLU . 100.0 m -63.12 -40.28 97.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.284 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.01 96.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.398 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -60.14 -47.52 85.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.888 0.375 . . . . 0.0 110.6 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.41 -42.24 98.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.362 0.601 . . . . 0.0 110.511 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -63.69 -39.77 95.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.677 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.14 -39.12 85.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.137 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -45.3 94.78 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.322 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.47 -44.83 72.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.387 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.36 -38.56 91.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.762 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -55.33 -50.02 70.7 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.401 -0.52 . . . . 0.0 109.855 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -69.62 -41.22 75.95 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.855 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.526 ' CD2' ' NE2' ' A' ' 141' ' ' HIS . 33.0 t80 -61.17 -48.25 82.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.574 -178.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.1 mt -65.21 -41.84 94.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.58 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -61.14 -46.32 91.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.474 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.2 -50.42 65.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.262 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -58.02 -41.11 82.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.586 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -61.59 -41.15 97.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.386 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.33 -37.79 86.18 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.392 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.97 -43.46 95.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.71 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -63.79 -36.07 82.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.399 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.62 -15.43 61.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.267 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.76 19.58 63.25 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.45 ' CD ' ' NE2' ' A' ' 111' ' ' HIS . 39.0 ttm-85 -116.23 125.19 51.89 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.421 ' O ' ' ND1' ' A' ' 111' ' ' HIS . 17.1 m-85 -108.53 134.89 50.69 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.45 ' NE2' ' CD ' ' A' ' 109' ' ' ARG . 41.0 m-70 -146.74 151.07 36.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.462 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -55.45 -28.95 57.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.522 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -56.95 -33.1 66.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.152 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.428 ' O ' ' OG ' ' A' ' 117' ' ' SER . 89.3 mtp -63.72 -41.64 98.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.535 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.8 mm -62.44 -44.84 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.588 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -63.14 -39.72 95.48 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 114' ' ' MET . 60.4 p -58.87 -45.94 88.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -63.8 -42.79 97.62 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.039 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -57.27 -45.49 83.99 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.247 0.546 . . . . 0.0 109.765 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 15.4 m -63.2 -42.0 99.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.375 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.49 -48.33 77.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.581 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.7 p -58.28 -39.24 78.75 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.213 0.53 . . . . 0.0 110.689 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.35 -41.48 98.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.134 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -42.63 85.42 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.882 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 45.5 mm -58.4 -47.58 87.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.113 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.477 ' O ' ' OG1' ' A' ' 129' ' ' THR . 1.1 m-20 -52.5 -47.83 66.35 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-O 121.434 0.635 . . . . 0.0 110.813 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 29.7 t -60.5 -29.14 43.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.083 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.4 mt -81.67 -29.54 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.952 0.406 . . . . 0.0 110.466 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 65.1 p -65.04 -27.57 68.89 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.645 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.5 m -51.4 -34.42 15.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 119.704 -0.798 . . . . 0.0 110.496 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.468 ' CZ ' ' SG ' ' A' ' 87' ' ' CYS . 94.2 m-85 -68.36 -36.03 78.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.941 0.401 . . . . 0.0 110.863 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 98.49 -11.98 63.17 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -83.34 93.07 7.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.46 132.32 54.29 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 3.7 p -103.53 171.31 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.193 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -62.21 -42.91 99.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.015 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.31 -45.89 91.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.798 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -63.85 -39.9 95.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.619 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 40.6 t -61.13 -46.04 97.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.203 0.525 . . . . 0.0 109.71 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -68.87 -26.13 64.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.297 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.526 ' NE2' ' CD2' ' A' ' 98' ' ' PHE . 36.0 t-80 -61.68 -49.42 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.473 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 143' ' ' LYS . 13.4 ptm180 -68.48 -41.18 80.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.584 ' NZ ' ' CE3' ' A' ' 147' ' ' TRP . 0.0 OUTLIER -64.39 -50.06 69.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.442 -178.792 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -60.11 -48.27 82.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.25 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.57 -41.76 90.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.319 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -56.14 -57.3 12.76 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.273 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . 0.584 ' CE3' ' NZ ' ' A' ' 143' ' ' LYS . 45.2 m0 -62.72 -51.42 67.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.351 -178.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -57.41 -44.07 84.25 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.423 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -53.77 -53.14 56.5 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.654 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 36.8 m -69.26 -32.17 71.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.207 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -58.91 -53.08 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.929 -178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.521 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 96.1 mt -67.86 -42.64 86.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.849 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -56.63 -48.35 77.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.069 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -65.67 -42.34 91.43 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.178 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 156' ' ' LEU . 1.6 p -56.41 -46.48 80.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 111.011 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.604 ' N ' ' SG ' ' A' ' 155' ' ' CYS . 12.9 mt -64.65 -41.23 96.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.779 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -59.9 -38.34 82.02 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -78.63 -17.71 55.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.698 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 84.28 32.12 23.59 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -117.87 148.49 42.08 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.716 0.294 . . . . 0.0 110.71 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 78.7 m -78.85 123.1 85.31 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.72 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.49 160.58 44.16 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.01 1.807 . . . . 0.0 112.492 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.194 179.584 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 CA--C 1.516 -0.344 0 CA-C-O 120.809 0.338 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.26 162.43 73.78 Favored Pre-proline 0 C--N 1.326 -0.43 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.862 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.63 147.28 81.51 Favored 'Trans proline' 0 N--CA 1.498 1.737 0 C-N-CA 122.986 2.457 . . . . 0.0 112.087 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 7' ' ' LEU . 1.4 mm? -101.63 151.18 37.82 Favored Pre-proline 0 C--O 1.235 0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.054 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.28 162.95 0.71 Allowed 'Trans proline' 0 C--N 1.316 -1.15 0 C-N-CA 122.248 1.965 . . . . 0.0 111.569 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.07 126.59 19.27 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 123.035 2.49 . . . . 0.0 111.655 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 tp -63.4 112.94 8.05 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.384 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -62.97 150.93 87.12 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 122.672 2.248 . . . . 0.0 111.985 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.84 -25.33 64.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -63.21 -37.93 89.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -101.68 25.77 8.14 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.878 0.371 . . . . 0.0 110.669 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -65.6 -40.31 92.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.681 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -55.81 -35.81 66.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.595 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.0 pt -94.97 21.38 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.171 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -63.94 -43.34 96.15 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.344 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -66.46 -36.68 83.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.715 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -56.47 -65.3 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.038 0.446 . . . . 0.0 111.136 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -35.15 73.11 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.532 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -60.3 -45.47 93.24 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.768 0.794 . . . . 0.0 110.076 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.424 ' CG2' ' HD1' ' A' ' 27' ' ' HIS . 11.6 m -62.18 -42.9 99.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.786 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -58.9 -40.91 85.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.323 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.771 HE21 HH22 ' A' ' 39' ' ' ARG . 72.9 mm-40 -56.44 -44.3 80.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.996 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -77.74 -35.53 51.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.417 0.627 . . . . 0.0 110.618 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.424 ' HD1' ' CG2' ' A' ' 23' ' ' THR . 2.4 m80 -75.54 -16.96 60.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.723 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ALA . 10.2 m-20 -59.31 -36.13 75.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.951 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -95.84 -34.58 11.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.774 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -76.03 -44.79 37.6 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.979 0.418 . . . . 0.0 110.968 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -147.77 93.08 4.6 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.345 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.59 -43.24 59.4 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 122.735 2.29 . . . . 0.0 112.547 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.1 -46.04 97.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.483 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 73.5 t -59.44 -45.13 93.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.171 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.23 93.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.703 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -52.02 -57.24 10.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.935 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -62.72 -42.05 99.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 96.6 m -58.91 -40.9 85.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.033 0.444 . . . . 0.0 110.319 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.771 HH22 HE21 ' A' ' 25' ' ' GLN . 26.2 mmt180 -63.24 -41.0 99.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.44 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.2 tp -57.53 -42.88 83.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.181 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.3 -45.93 89.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.225 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.3 87.27 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.621 0.576 . . . . 0.0 110.874 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.2 mtt -60.34 -49.15 78.73 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.448 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -55.74 -58.46 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.5 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.8 t -61.49 -33.0 73.04 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.706 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.57 -63.78 4.69 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 22.3 ptp -60.52 -25.87 66.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 110.426 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -64.42 -49.57 71.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.448 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.39 -45.71 95.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.719 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' A' ' 51' ' ' SER . 47.2 t0 -121.7 -122.76 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.258 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.497 ' H ' ' CG ' ' A' ' 50' ' ' ASP . 39.7 t -176.78 -101.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.513 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -136.14 98.03 3.76 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.7 m -98.19 131.86 25.57 Favored Pre-proline 0 CA--C 1.537 0.444 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.078 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -40.27 -32.06 0.65 Allowed 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 122.286 1.991 . . . . 0.0 112.36 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -86.27 -61.15 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.98 0.419 . . . . 0.0 110.429 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' PHE . 35.9 m -59.9 -27.14 66.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.641 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -41.68 -41.35 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.485 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -63.49 -42.82 98.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.273 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 56' ' ' CYS . 68.8 t80 -62.37 -48.68 78.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.401 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.475 ' O ' ' SD ' ' A' ' 64' ' ' MET . 27.7 mt -63.94 -40.85 97.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.5 m -59.92 -51.23 70.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.043 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.16 -37.91 89.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.37 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.609 ' CD1' HH11 ' A' ' 39' ' ' ARG . 29.4 tp -59.76 -48.34 82.07 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-O 121.636 0.731 . . . . 0.0 110.972 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.57 ' N ' ' SD ' ' A' ' 64' ' ' MET . 0.0 OUTLIER -61.8 -37.87 86.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.085 -179.666 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -63.92 -38.66 91.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.079 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -58.54 -47.22 84.92 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.186 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.19 -43.2 99.26 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.719 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -63.79 -34.18 77.33 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.21 90.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.512 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.98 -40.48 95.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.587 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -61.08 -47.73 84.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.169 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -67.64 -42.82 81.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.693 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -58.63 5.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.866 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.545 ' CB ' HD22 ' A' ' 77' ' ' ASN . 28.4 mt -73.17 -42.02 63.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.689 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.16 -99.4 2.34 Favored Glycine 0 N--CA 1.46 0.255 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -130.34 87.25 2.48 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.966 0.413 . . . . 0.0 110.817 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.546 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -97.26 156.72 16.3 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.786 -179.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.522 ' OE2' ' NE2' ' A' ' 82' ' ' GLN . 5.6 tp10 -53.0 -37.22 61.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.834 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.93 -37.75 61.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.891 0.377 . . . . 0.0 111.312 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.1 mm -85.05 -5.42 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.76 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 77' ' ' ASN . 64.3 p -116.97 -8.31 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.961 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.522 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 43.1 mt-30 -139.05 117.09 11.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.047 0.451 . . . . 0.0 110.077 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -67.06 -34.92 78.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.925 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.492 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 1.0 OUTLIER -60.31 -40.74 84.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.465 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.427 ' H ' HG13 ' A' ' 84' ' ' ILE . 72.3 t -68.08 -44.88 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.815 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.92 -44.3 92.55 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 88' ' ' ALA . 4.5 p -65.09 -41.16 95.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.95 0.405 . . . . 0.0 110.56 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.537 ' N ' ' SG ' ' A' ' 87' ' ' CYS . . . -63.58 -36.84 85.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.743 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.419 ' NE2' ' CZ ' ' A' ' 93' ' ' TYR . 33.6 t60 -63.33 -49.27 74.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.97 -42.71 97.18 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.775 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -56.19 -45.2 79.87 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.295 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.426 HD21 ' C ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -64.31 -40.64 96.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.419 ' CZ ' ' NE2' ' A' ' 89' ' ' HIS . 2.6 m-85 -59.7 -46.04 90.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.712 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.96 -46.22 85.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.966 0.412 . . . . 0.0 110.218 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.11 -41.38 98.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.026 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -59.94 -47.33 86.24 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.428 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 49.2 mtm -68.67 -39.83 80.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.705 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -59.54 -46.85 87.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.55 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.62 -39.95 95.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.262 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -55.32 -44.42 75.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.926 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.41 84.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.554 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.33 -38.59 84.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.434 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.443 HD21 ' N ' ' A' ' 103' ' ' ASN . 2.5 m120 -62.12 -41.3 98.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.244 0.545 . . . . 0.0 110.232 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -70.83 -23.82 62.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.946 0.403 . . . . 0.0 110.175 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -74.13 -52.71 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.337 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -67.04 -23.44 65.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.503 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.29 -14.14 61.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.591 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 86.12 -21.69 15.31 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -82.96 142.41 31.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 0.0 110.316 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -126.4 138.72 53.57 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.278 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -145.86 156.58 43.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.405 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -59.66 -18.32 41.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.418 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -62.34 -37.22 84.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.406 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 55.4 mtp -58.33 -42.96 87.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.981 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 33.7 mm -62.45 -48.64 87.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.071 0.462 . . . . 0.0 110.345 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -65.64 -35.97 82.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.233 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.2 m -60.15 -45.89 91.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.761 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -63.59 -41.4 98.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.48 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -59.39 -44.26 92.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.954 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.3 m -60.31 -43.7 96.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.237 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.26 -49.44 69.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.263 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.3 t -60.31 -40.47 90.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.425 0.631 . . . . 0.0 110.417 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 tp -58.95 -43.83 91.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.127 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.8 tp -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.959 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.47 -43.89 42.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.552 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.463 ' O ' ' OG1' ' A' ' 129' ' ' THR . 98.5 m-20 -59.4 -48.64 80.85 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-O 121.762 0.791 . . . . 0.0 109.979 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.85 -24.16 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.136 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 95.5 mt -84.28 -31.76 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.52 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 71.1 p -64.72 -32.39 74.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 -178.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 11.9 m -54.54 -29.23 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.596 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -62.6 -41.14 98.79 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.806 0.336 . . . . 0.0 110.351 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.74 0.99 25.87 Favored Glycine 0 N--CA 1.468 0.797 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -114.5 125.89 54.33 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.041 0.448 . . . . 0.0 110.619 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.88 111.42 14.14 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.135 0.493 . . . . 0.0 110.219 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 138' ' ' ASN . 9.2 t -89.04 168.13 12.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.239 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -64.06 -42.3 97.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.737 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.415 ' OE1' ' OG1' ' A' ' 135' ' ' THR . 56.2 mp0 -56.02 -43.15 77.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.028 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.441 ' H ' HG22 ' A' ' 135' ' ' THR . 92.7 m-20 -64.57 -45.01 88.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.802 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 89.9 t -65.45 -43.96 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.72 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -61.96 -44.31 97.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.948 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.415 ' O ' ' CB ' ' A' ' 145' ' ' ALA . 45.7 m170 -65.91 -36.29 82.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.156 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 54.0 ttt85 -56.85 -62.04 2.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.824 0.345 . . . . 0.0 110.703 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 144' ' ' TYR . 16.5 pttp -65.31 -43.65 90.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.451 ' N ' ' CG ' ' A' ' 143' ' ' LYS . 70.5 t80 -62.15 -45.25 94.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.379 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 141' ' ' HIS . . . -63.39 -48.67 76.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.422 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -56.73 -47.39 80.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.186 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -66.3 -46.93 75.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.662 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -60.94 -42.91 99.1 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.62 -55.52 32.91 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.718 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 8.9 m -69.1 -41.17 77.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.165 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.502 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 85.3 t80 -58.65 -47.58 83.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 81.2 mt -63.43 -43.48 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.959 -0.297 . . . . 0.0 110.596 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -58.99 -48.49 81.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.866 0.365 . . . . 0.0 110.545 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -66.39 -38.57 87.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.706 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 96.9 m -60.51 -42.87 97.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.68 -40.86 92.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.711 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -58.96 -44.03 91.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.437 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -78.77 -3.16 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.48 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 79.1 8.16 88.01 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -81.59 145.23 30.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 110.713 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.8 m -88.84 118.02 68.87 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.519 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -53.35 148.39 33.27 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.343 2.028 . . . . 0.0 112.394 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.102 179.856 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 N--CA 1.458 -0.058 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.34 158.4 69.25 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.833 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -60.88 151.24 78.88 Favored 'Trans proline' 0 N--CA 1.504 2.141 0 C-N-CA 122.291 1.994 . . . . 0.0 112.138 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 7' ' ' LEU . 1.3 mm? -105.95 144.3 28.63 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.049 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.5 165.08 32.99 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.369 2.046 . . . . 0.0 112.121 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.15 126.6 8.09 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.076 1.851 . . . . 0.0 111.388 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 tp -61.08 117.13 23.01 Favored Pre-proline 0 CA--C 1.543 0.7 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.947 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -54.9 156.53 15.17 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 121.997 1.798 . . . . 0.0 112.125 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.45 91.01 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.066 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.56 -20.06 62.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.964 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.638 ' CZ ' ' SG ' ' A' ' 56' ' ' CYS . 3.2 m-30 -92.47 8.3 39.3 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.069 0.461 . . . . 0.0 110.433 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -61.53 -37.22 82.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.347 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 m -57.63 -34.14 68.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.879 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.2 pt -96.02 18.46 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.048 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -61.97 -45.19 94.72 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.275 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.416 ' O ' ' OG1' ' A' ' 23' ' ' THR . 15.0 m-70 -69.88 -37.66 76.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.883 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.446 ' CD2' ' CD1' ' A' ' 41' ' ' TYR . 56.8 m80 -53.87 -61.7 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 111.342 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.57 -40.12 92.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -59.88 -42.43 93.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.053 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 19' ' ' HIS . 34.6 m -62.15 -44.26 97.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.16 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.36 96.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.465 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -57.9 -45.33 86.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.429 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -70.85 -44.76 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.753 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.615 ' CE1' HH21 ' A' ' 30' ' ' ARG . 23.0 m80 -64.22 -34.89 79.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.178 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 41.1 t0 -46.69 -31.29 2.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.395 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -84.39 -19.43 33.55 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.317 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.615 HH21 ' CE1' ' A' ' 27' ' ' HIS . 83.8 mtm180 -103.08 -52.22 3.09 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.775 0.321 . . . . 0.0 110.918 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -139.95 92.32 9.88 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.491 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.88 -36.13 62.4 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 122.664 2.243 . . . . 0.0 112.529 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.08 -45.05 96.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.59 -43.88 98.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.989 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -43.42 95.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.621 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -55.82 -50.24 71.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 110.287 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -63.78 -42.96 97.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.451 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.8 m -61.66 -39.92 93.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.196 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' A' ' 66' ' ' GLN . 85.9 mtt-85 -62.5 -37.17 84.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.315 179.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.4 -47.58 85.45 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.341 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.446 ' CD1' ' CD2' ' A' ' 20' ' ' HIS . 55.4 t80 -61.59 -42.97 99.63 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.84 -50.89 62.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 38.8 mtt -63.01 -45.5 92.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.171 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 1.6 mt-30 -51.69 -51.11 58.53 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.04 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.6 m -71.42 -42.78 67.85 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.709 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.15 -49.29 76.24 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.412 ' SD ' ' HA ' ' A' ' 44' ' ' GLN . 5.2 ptm -67.51 -29.27 68.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -59.27 -49.99 75.73 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.007 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.4 HD11 HG22 ' A' ' 49' ' ' ILE . 88.8 mt -63.16 -48.41 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.547 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' CG ' ' OG1' ' A' ' 53' ' ' THR . 15.7 t0 -145.5 100.11 3.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.88 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.5 m -47.85 -81.0 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.76 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -115.23 104.76 12.15 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.42 ' OG1' ' CG ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -107.36 133.39 20.38 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -42.28 -42.23 7.55 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.06 1.84 . . . . 0.0 112.765 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -85.16 -53.26 5.37 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.741 0.305 . . . . 0.0 111.418 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.638 ' SG ' ' CZ ' ' A' ' 14' ' ' PHE . 4.4 t -58.61 -21.74 54.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.046 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -49.79 -42.59 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.2 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -62.28 -44.14 97.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.236 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.44 -47.41 84.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.187 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.53 -41.77 98.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.559 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.5 m -55.77 -61.37 2.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.871 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -63.37 -43.81 96.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.057 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.9 tp -56.88 -48.01 79.16 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.668 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.03 -38.62 89.38 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.467 -0.493 . . . . 0.0 109.883 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.38 -37.85 82.08 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.942 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.518 ' OE1' ' NH1' ' A' ' 39' ' ' ARG . 70.0 mt-30 -63.74 -37.85 88.9 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.283 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.02 -48.62 80.94 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.904 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.7 -32.71 73.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.126 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.33 96.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.023 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.77 -41.92 97.88 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.378 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -61.63 -47.19 86.55 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.229 -0.588 . . . . 0.0 109.64 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -69.26 -40.22 77.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -56.57 -51.81 67.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.4 mt -70.76 -41.35 71.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.53 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.03 -99.54 0.51 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -87.15 85.4 7.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.926 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.83 129.7 53.66 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.753 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -66.73 -39.71 88.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.46 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.03 -39.66 83.06 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.993 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.7 mm -69.45 -45.16 79.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.852 0.358 . . . . 0.0 110.76 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.54 ' HG1' ' H ' ' A' ' 82' ' ' GLN . 52.7 p -69.64 -47.18 64.27 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.067 -179.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.54 ' H ' ' HG1' ' A' ' 81' ' ' THR . 63.1 mt-30 -96.09 117.63 31.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.421 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.572 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 3.5 pm0 -69.57 -37.34 76.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.977 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.5 pt -62.33 -42.55 95.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.485 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.9 t -64.05 -46.52 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.97 -38.64 95.72 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.7 t -64.1 -43.31 95.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.332 . . . . 0.0 110.316 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.74 90.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.319 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.567 ' NE2' ' CE1' ' A' ' 93' ' ' TYR . 57.8 t60 -61.87 -44.0 97.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.389 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.73 -42.85 97.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.4 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -58.59 -44.66 89.93 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.14 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.94 -39.21 93.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.744 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.567 ' CE1' ' NE2' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -58.27 -46.25 86.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.335 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.41 93.56 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.654 -0.419 . . . . 0.0 109.871 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.46 -42.73 98.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.395 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -62.44 -45.91 90.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.863 0.364 . . . . 0.0 110.582 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 48.7 mtm -66.94 -39.02 87.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.846 0.355 . . . . 0.0 110.549 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -60.08 -46.47 89.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.61 -40.76 97.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.346 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -58.23 -44.18 88.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.931 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.97 -48.02 83.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.549 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.47 -40.81 97.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.922 0.392 . . . . 0.0 110.526 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -62.72 -43.4 98.89 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.194 0.521 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.99 -33.97 76.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.897 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -61.2 -44.7 96.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.781 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -64.98 -24.9 67.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.244 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.09 -25.41 68.35 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.445 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.75 -24.08 19.6 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -83.04 139.36 33.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.022 0.439 . . . . 0.0 110.204 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.54 135.27 54.85 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.4 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.444 ' ND1' ' N ' ' A' ' 112' ' ' LYS . 41.6 t-80 -147.53 162.36 39.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.092 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.444 ' N ' ' ND1' ' A' ' 111' ' ' HIS . 64.2 mmtt -56.89 -17.82 10.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -61.92 -36.98 82.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.453 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 38.5 mmm -60.36 -44.84 95.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 40.9 mm -62.37 -44.07 98.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.913 0.387 . . . . 0.0 110.204 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -63.93 -41.82 97.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.552 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.5 p -59.29 -46.36 88.77 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.866 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -64.66 -43.0 95.0 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.836 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -63.9 -42.12 97.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.435 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.4 m -59.79 -43.88 94.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.605 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.69 -48.89 79.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.742 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 93.9 p -58.34 -37.5 75.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.039 0.447 . . . . 0.0 110.913 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.84 -43.78 95.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.481 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.88 -36.27 83.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.675 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.24 -44.73 92.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.67 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.451 ' O ' ' OG1' ' A' ' 129' ' ' THR . 99.5 m-20 -60.44 -42.89 97.03 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 121.454 0.645 . . . . 0.0 110.027 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.1 t -57.61 -28.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.055 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 97.6 mt -81.1 -34.39 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.8 0.333 . . . . 0.0 110.542 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 73.8 p -62.28 -26.02 68.17 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.78 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.3 m -52.53 -31.89 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.771 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -63.91 -27.42 69.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.619 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.61 -19.12 54.88 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 1.1 mp0 -95.79 122.06 38.17 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.881 0.372 . . . . 0.0 110.35 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.7 mt -129.54 138.63 51.44 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.133 0.492 . . . . 0.0 110.771 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.514 ' HG1' ' H ' ' A' ' 137' ' ' GLU . 0.2 OUTLIER -105.76 149.07 26.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.89 178.275 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.435 ' N ' ' HG1' ' A' ' 135' ' ' THR . 98.8 m-20 -50.61 -30.76 14.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.589 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.514 ' H ' ' HG1' ' A' ' 135' ' ' THR . 1.4 mp0 -64.45 -50.8 66.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.518 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -45.5 93.34 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.198 -179.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.82 -45.21 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -62.9 -41.0 99.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.579 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -63.6 -40.31 96.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.188 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -62.19 -53.65 52.24 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.114 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -64.26 -38.58 91.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.945 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -59.85 -48.76 80.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.243 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.91 73.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.5 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -60.0 -50.12 75.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.533 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -66.62 -42.03 87.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.383 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -62.39 -43.44 98.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.007 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.03 -49.87 75.66 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.547 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 21.4 m -71.26 -42.8 68.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.578 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -57.53 -49.54 75.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.617 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.22 -44.0 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.3 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -61.62 -43.74 98.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.694 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -62.56 -41.24 98.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.574 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 160' ' ' GLU . 87.8 m -60.92 -44.68 96.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.897 0.38 . . . . 0.0 110.442 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.41 -38.38 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.45 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -57.03 -40.66 77.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.646 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -90.55 5.91 45.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.547 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 71.55 12.42 73.56 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 155' ' ' CYS . 96.9 mt-10 -87.07 148.35 25.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.607 0.242 . . . . 0.0 110.417 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.3 m -95.9 124.15 53.22 Favored Pre-proline 0 CA--C 1.54 0.574 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.723 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.6 162.04 40.72 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.036 1.824 . . . . 0.0 112.296 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.11 179.474 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.574 ' CD1' ' NH2' ' A' ' 39' ' ' ARG . 46.4 mt . . . . . 0 CA--C 1.529 0.143 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.83 150.92 93.96 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.924 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.26 151.66 76.41 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.528 2.152 . . . . 0.0 111.379 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.455 ' CD1' ' NE2' ' A' ' 66' ' ' GLN . 6.8 mp -106.43 154.7 39.7 Favored Pre-proline 0 N--CA 1.469 0.5 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -67.34 167.93 19.16 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.552 2.168 . . . . 0.0 111.349 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -44.94 133.95 10.79 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.972 1.781 . . . . 0.0 111.797 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.24 118.44 72.48 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.413 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -54.62 153.61 23.15 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 121.793 1.662 . . . . 0.0 112.72 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.13 96.26 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.521 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -64.37 -17.96 64.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.677 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -97.35 5.57 49.65 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.675 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -58.06 -26.85 63.03 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -66.55 -48.17 70.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.739 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.403 ' HA ' ' HD1' ' A' ' 20' ' ' HIS . 31.4 pt -85.8 -1.97 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.091 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -53.16 -42.11 65.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.97 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -65.55 -38.57 90.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.236 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.403 ' HD1' ' HA ' ' A' ' 17' ' ' ILE . 35.9 m80 -59.86 -61.69 2.43 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -36.11 76.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.516 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -58.88 -45.79 89.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.922 0.391 . . . . 0.0 110.621 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.2 m -63.79 -42.42 97.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.214 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.21 93.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.265 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -58.47 -44.22 89.23 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -70.3 -50.19 41.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' ASP . 13.5 m80 -61.64 -37.14 82.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.316 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -43.89 -39.64 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.675 0.274 . . . . 0.0 110.433 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -66.75 -40.66 88.37 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.675 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 -86.85 -54.05 4.57 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' HIS . 17.8 t0 -127.56 106.02 21.11 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-O 119.723 -0.179 . . . . 0.0 110.999 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.35 -30.65 19.24 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.272 1.315 . . . . 0.0 112.036 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.6 -46.5 94.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.3 t -63.03 -45.09 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.29 -38.02 87.77 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.599 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -57.19 -52.77 63.98 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.958 0.408 . . . . 0.0 110.521 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -67.47 -36.66 81.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.06 0.457 . . . . 0.0 110.237 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.3 t -56.94 -44.44 82.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.985 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.574 ' NH2' ' CD1' ' A' ' 4' ' ' LEU . 84.3 mtt85 -63.64 -41.84 98.2 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.403 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.6 tp -50.14 -48.45 53.74 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.247 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -63.25 -44.31 95.55 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.168 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.38 -37.71 78.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.877 0.37 . . . . 0.0 110.427 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.517 ' O ' ' SD ' ' A' ' 47' ' ' MET . 39.0 mtt -61.23 -62.69 1.66 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.19 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -44.15 -44.58 7.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.556 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.3 p -69.4 -35.41 75.74 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.834 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.84 -54.17 29.89 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.153 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -65.86 -37.5 86.34 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.568 0.223 . . . . 0.0 110.784 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -54.56 -47.22 73.52 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.0 mt -72.6 -70.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.523 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' OD2' ' SG ' ' A' ' 56' ' ' CYS . 28.3 t70 -108.26 113.99 27.52 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.211 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 50' ' ' ASP . 51.1 m -56.05 -108.18 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.533 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -127.46 97.55 4.92 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.456 HG22 ' H ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -106.78 160.26 26.95 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -42.66 -50.45 5.88 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 122.296 1.998 . . . . 0.0 113.517 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.59 -61.93 1.63 Allowed 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.394 0.616 . . . . 0.0 111.066 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.462 ' SG ' ' OD2' ' A' ' 50' ' ' ASP . 61.7 m -49.28 -23.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.155 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -50.7 -58.17 6.53 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 121.211 0.529 . . . . 0.0 110.215 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.14 -41.0 91.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.581 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -59.34 -48.39 81.8 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.398 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.62 -41.91 98.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.383 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.4 t -60.67 -45.67 93.24 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.725 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -63.91 -42.5 97.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.414 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.98 -44.13 97.39 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.362 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -40.39 96.17 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.943 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -62.55 -40.93 98.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.614 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.455 ' NE2' ' CD1' ' A' ' 7' ' ' LEU . 55.3 mt-30 -60.25 -44.9 94.86 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.36 -43.93 97.66 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.377 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -36.56 83.59 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.42 -49.69 66.79 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.216 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.41 -41.65 98.72 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.901 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -59.62 -47.46 85.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.195 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -69.38 -32.51 71.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.309 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -58.15 -55.94 28.44 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.5 mt -78.02 -42.43 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.77 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.6 -99.8 2.01 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -96.49 89.1 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.693 0.282 . . . . 0.0 110.767 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -126.61 127.38 45.15 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.449 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -50.87 -39.3 53.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.296 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.1 -36.2 74.74 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.728 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.4 mm -89.17 -48.66 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.486 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.576 ' HG1' ' N ' ' A' ' 82' ' ' GLN . 61.2 p -65.14 -43.06 93.12 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.687 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.576 ' N ' ' HG1' ' A' ' 81' ' ' THR . 60.9 mt-30 -104.58 115.35 30.19 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.329 0.585 . . . . 0.0 110.712 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.4 ' C ' ' OE1' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -67.98 -37.12 81.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.652 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 pt -56.69 -42.21 76.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.4 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.04 -46.58 93.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 0.0 110.098 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.36 -36.05 92.89 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 49.9 t -65.49 -44.1 88.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.723 0.296 . . . . 0.0 110.772 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.69 95.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.745 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -64.59 -45.6 86.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.64 -44.25 96.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.403 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -63.06 -42.51 99.72 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -63.88 -38.79 92.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.644 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -49.77 76.46 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.682 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.37 -36.72 78.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -62.63 -44.45 96.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.383 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -62.58 -46.84 86.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.904 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 70.6 mtm -66.32 -39.82 89.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.6 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.645 ' CG ' ' NE2' ' A' ' 141' ' ' HIS . 63.3 t80 -59.89 -45.03 93.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.649 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.9 mt -62.77 -40.34 97.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.687 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.24 -46.83 82.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.308 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.38 96.73 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.869 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.35 -43.5 98.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.89 0.376 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -63.5 -40.61 97.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.39 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -60.82 -42.74 98.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.191 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -59.5 -43.0 93.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.057 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -38.76 92.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.349 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.79 -26.11 68.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.348 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.53 ' O ' ' CE2' ' A' ' 110' ' ' PHE . . . 97.38 -7.49 63.93 Favored Glycine 0 N--CA 1.465 0.585 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -84.17 134.55 34.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' A' ' 108' ' ' GLY . 13.5 m-85 -123.89 133.76 53.68 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -148.12 173.5 12.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.344 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -64.18 -18.41 64.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.371 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -63.19 -36.87 85.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.801 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.476 ' O ' ' CD2' ' A' ' 118' ' ' PHE . 61.5 mtp -56.41 -50.35 71.87 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.068 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.7 mm -65.06 -43.68 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.388 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -62.55 -40.66 97.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.346 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.601 ' HG ' ' N ' ' A' ' 118' ' ' PHE . 82.7 p -59.67 -48.01 83.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.662 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.601 ' N ' ' HG ' ' A' ' 117' ' ' SER . 52.7 m-85 -66.72 -43.93 82.96 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.679 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -61.71 -48.36 81.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.129 0.49 . . . . 0.0 110.284 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 97.9 m -63.96 -43.73 94.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.56 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.28 -43.77 71.34 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.07 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.2 t -62.17 -42.17 99.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.661 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.8 mp -59.52 -47.44 85.53 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.591 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.07 -40.46 97.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.397 0.617 . . . . 0.0 110.216 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.401 HD12 HG21 ' A' ' 125' ' ' ILE . 53.1 mt -58.88 -43.51 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 C-N-CA 120.346 -0.542 . . . . 0.0 109.541 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -59.0 -42.63 90.54 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 121.547 0.689 . . . . 0.0 109.926 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.66 -31.51 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.599 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 82.5 mt -72.19 -38.24 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.908 0.385 . . . . 0.0 110.924 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.407 ' HG1' ' N ' ' A' ' 130' ' ' VAL . 30.4 p -60.03 -29.61 68.63 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.101 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.407 ' N ' ' HG1' ' A' ' 129' ' ' THR . 2.8 m -52.88 -27.07 12.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.925 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -68.39 -12.97 61.94 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.601 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.92 12.81 84.05 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -124.59 86.0 2.5 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.4 mt -97.08 138.06 35.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.073 0.463 . . . . 0.0 110.957 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.465 ' HG1' ' H ' ' A' ' 137' ' ' GLU . 0.2 OUTLIER -103.28 162.28 13.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.336 178.172 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.59 -36.83 81.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.349 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.465 ' H ' ' HG1' ' A' ' 135' ' ' THR . 12.2 mp0 -61.59 -47.27 86.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.34 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.4 ' H ' HG22 ' A' ' 135' ' ' THR . 9.1 m-20 -61.64 -46.86 87.95 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.444 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.59 -47.93 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.398 0.618 . . . . 0.0 109.723 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -63.92 -42.22 97.45 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.568 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.645 ' NE2' ' CG ' ' A' ' 98' ' ' PHE . 62.9 t-80 -61.54 -43.7 98.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.022 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.611 HH21 ' NZ ' ' A' ' 143' ' ' LYS . 56.2 ttp180 -59.41 -45.22 92.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.592 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.611 ' NZ ' HH21 ' A' ' 142' ' ' ARG . 41.3 mmtm -63.11 -42.5 99.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.695 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -60.28 -47.76 84.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.343 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.4 87.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.212 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -54.44 45.64 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.754 0.312 . . . . 0.0 111.296 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . 0.411 ' CD1' ' N ' ' A' ' 147' ' ' TRP . 20.0 m0 -66.75 -39.8 88.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.907 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.75 -44.23 96.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.645 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.89 75.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.759 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 97.5 m -64.3 -43.9 93.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.537 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -58.55 -51.07 71.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.739 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.87 -43.17 93.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.454 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -56.39 -49.22 75.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.985 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.428 ' N ' HD21 ' A' ' 154' ' ' ASN . 0.9 OUTLIER -65.02 -39.3 93.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.496 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 160' ' ' GLU . 45.1 t -56.99 -51.9 67.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.034 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.84 -36.09 82.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.456 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -55.19 -41.66 72.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.581 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -89.99 6.53 41.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.506 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.13 43.51 93.07 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.423 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 8.8 mm-40 -112.7 153.99 26.84 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.756 0.313 . . . . 0.0 110.448 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 18.3 m -88.36 118.9 69.99 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.515 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.31 165.99 29.74 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 121.894 1.729 . . . . 0.0 112.469 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.455 179.643 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.9 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.798 0.332 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.63 146.8 85.07 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.691 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -71.46 152.17 60.01 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.396 2.064 . . . . 0.0 111.496 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.4 mt -112.98 146.55 35.35 Favored Pre-proline 0 N--CA 1.469 0.502 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -70.77 167.28 26.21 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.055 1.837 . . . . 0.0 112.027 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -44.96 133.4 10.92 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.162 1.908 . . . . 0.0 111.695 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tt -71.98 116.73 51.43 Favored Pre-proline 0 CA--C 1.544 0.726 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.574 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -58.18 150.55 65.19 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.03 1.82 . . . . 0.0 112.195 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.27 -22.45 61.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.578 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -60.53 -38.92 86.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -95.6 21.47 8.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.227 0.537 . . . . 0.0 110.71 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -62.12 -33.64 74.85 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.86 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 t -64.96 -46.52 81.17 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.359 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.3 pt -90.08 18.15 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.84 -44.83 93.88 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.372 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.445 ' O ' ' OG1' ' A' ' 23' ' ' THR . 83.5 m-70 -66.85 -38.98 87.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.007 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -54.4 -64.81 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.358 . . . . 0.0 111.593 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -41.04 97.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.283 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -57.63 -43.1 84.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 19' ' ' HIS . 19.6 m -61.03 -43.14 99.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.028 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.23 91.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.591 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.451 HE21 ' NH2' ' A' ' 39' ' ' ARG . 78.7 mm-40 -57.07 -46.2 82.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.936 0.398 . . . . 0.0 110.398 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -70.17 -45.19 67.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.434 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -67.81 -17.75 64.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.259 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -50.46 -27.25 6.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.355 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -97.31 -48.29 5.38 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.324 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -65.92 -43.7 87.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.734 0.302 . . . . 0.0 110.919 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -148.82 87.02 5.58 Favored Pre-proline 0 C--O 1.238 0.448 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.683 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.63 -35.87 79.12 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.727 2.285 . . . . 0.0 112.174 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.81 -45.38 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.528 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.61 -44.4 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.731 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.72 84.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -51.39 -56.96 10.34 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.671 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -63.32 -46.99 84.09 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.125 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.5 t -56.75 -38.45 72.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.406 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.607 HH11 ' CD1' ' A' ' 63' ' ' LEU . 3.6 mmt180 -63.69 -41.03 98.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.439 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.57 -44.57 89.8 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.399 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -60.97 -48.83 79.98 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.615 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.08 94.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.95 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.6 mtp -62.54 -44.25 96.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -55.61 -47.63 76.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.518 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.0 m -63.38 -43.18 98.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.55 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.03 -57.89 11.9 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.429 -0.669 . . . . 0.0 111.429 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 21.7 ptp -62.51 -34.17 76.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.439 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -60.64 -48.89 79.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 86.3 mt -65.58 -48.79 81.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.859 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 21.0 p30 -146.72 123.07 10.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.466 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 p -49.34 -98.18 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.726 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.71 108.07 4.26 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -89.36 163.98 31.7 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.53 -47.97 18.82 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.12 1.88 . . . . 0.0 113.347 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -78.85 -63.54 1.39 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.07 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.412 ' H ' HG23 ' A' ' 53' ' ' THR . 9.1 t -43.2 -24.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.796 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -42.6 -42.6 3.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.75 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -64.08 -41.84 97.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.692 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -59.47 -52.07 67.18 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.493 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.84 -42.65 94.74 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.475 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.8 t -59.74 -55.0 39.82 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.257 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -66.07 -39.44 90.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.154 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.607 ' CD1' HH11 ' A' ' 39' ' ' ARG . 45.8 tp -60.82 -43.05 98.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.09 0.471 . . . . 0.0 110.47 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.1 mmt -64.05 -38.71 92.06 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.054 0.454 . . . . 0.0 110.162 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.22 -34.9 77.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.649 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.15 -36.68 82.36 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.496 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -57.62 11.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.177 0.513 . . . . 0.0 111.102 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -62.24 -31.11 71.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.877 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.58 79.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.475 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.0 mt -63.43 -42.12 98.7 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.303 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.22 -47.4 84.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.396 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -67.4 -33.79 75.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.661 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.0 -53.96 52.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.754 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.09 -44.22 66.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.641 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.29 -100.97 1.44 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -92.12 88.47 6.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.824 0.345 . . . . 0.0 111.212 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -124.11 131.58 53.56 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.15 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.33 -39.62 95.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.114 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.59 -24.51 66.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mm -90.5 -40.04 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.714 0.292 . . . . 0.0 110.628 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.1 p -76.99 -54.87 6.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.972 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -83.2 121.33 26.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 111.066 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.508 ' H ' ' CD ' ' A' ' 83' ' ' GLU . 2.0 pm0 -72.14 -38.62 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.944 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.411 HG13 ' H ' ' A' ' 85' ' ' VAL . 2.5 pt -60.58 -43.64 95.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.55 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.411 ' H ' HG13 ' A' ' 84' ' ' ILE . 94.8 t -65.06 -44.74 95.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.35 -39.56 97.92 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.294 -1.123 . . . . 0.0 110.294 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 83' ' ' GLU . 97.6 m -62.46 -38.79 91.16 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.301 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.54 -40.04 95.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.745 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.467 ' NE2' ' CE1' ' A' ' 93' ' ' TYR . 28.2 t60 -61.0 -46.08 92.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.627 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.59 -43.07 98.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.41 ' OE2' ' CD2' ' A' ' 95' ' ' LEU . 2.5 tm-20 -65.64 -38.47 89.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.954 0.407 . . . . 0.0 109.91 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -62.88 -39.79 95.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.424 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.467 ' CE1' ' NE2' ' A' ' 89' ' ' HIS . 2.0 m-85 -61.52 -44.55 96.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.729 0.299 . . . . 0.0 110.475 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.67 -46.67 83.96 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.342 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.41 ' CD2' ' OE2' ' A' ' 91' ' ' GLU . 3.7 mm? -64.0 -40.15 95.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.078 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -56.65 -49.09 76.05 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.493 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 66.3 mtm -68.22 -36.42 79.49 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.542 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.447 ' CD2' ' ND1' ' A' ' 141' ' ' HIS . 37.9 t80 -58.78 -49.54 77.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.3 mt -66.64 -40.03 88.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -58.14 -47.28 83.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.516 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.78 91.78 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.077 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -59.85 -43.34 94.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.793 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -62.99 -42.54 99.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.509 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.37 -38.97 88.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.575 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -62.49 -46.48 88.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.746 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -28.51 69.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.79 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.9 -11.32 46.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.4 -14.58 60.74 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -76.86 135.81 38.86 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -129.49 131.81 46.76 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.472 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -151.44 -178.17 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.422 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -81.09 -18.86 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.542 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -64.34 -42.42 96.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.435 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 115' ' ' ILE . 11.8 ptm -61.63 -41.2 97.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.974 0.416 . . . . 0.0 110.923 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.428 ' N ' ' CG ' ' A' ' 114' ' ' MET . 95.8 mt -63.37 -43.58 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.919 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -62.82 -37.19 85.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.047 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.1 m -58.57 -45.69 88.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.176 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -64.53 -43.48 93.89 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.964 0.411 . . . . 0.0 110.331 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -61.34 -43.51 98.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.864 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.9 m -61.67 -42.84 99.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.111 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -53.0 -50.13 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.118 0.485 . . . . 0.0 110.093 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m -59.31 -34.16 71.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.332 0.587 . . . . 0.0 109.959 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.36 -40.0 94.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.234 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -40.07 92.44 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.64 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 37.5 mm -58.04 -45.69 88.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.64 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.474 ' O ' ' OG1' ' A' ' 129' ' ' THR . 97.8 m-20 -55.25 -48.82 73.4 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-O 121.453 0.644 . . . . 0.0 110.517 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 47.7 t -58.32 -28.37 35.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.949 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.9 mt -83.4 -32.74 9.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.757 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 38.5 p -60.4 -25.89 66.25 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.18 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.9 m -52.8 -34.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.305 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -67.96 -38.49 82.83 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.88 0.372 . . . . 0.0 111.115 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 103.24 -11.97 55.11 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -91.69 104.45 16.91 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 122.752 -0.263 . . . . 0.0 110.543 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.82 119.13 27.06 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.389 0.614 . . . . 0.0 110.274 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.2 t -92.47 165.96 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.813 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.78 -41.16 94.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.983 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -56.66 -48.08 78.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.366 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -61.22 -40.66 94.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.976 0.417 . . . . 0.0 110.488 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.37 -40.92 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.242 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -58.14 -43.49 87.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.543 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.447 ' ND1' ' CD2' ' A' ' 98' ' ' PHE . 18.1 m-70 -62.96 -43.57 98.42 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 44.5 ttp85 -60.54 -48.02 83.59 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.016 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -67.44 -44.55 78.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.853 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 144' ' ' TYR . 29.7 t80 -60.21 -45.46 93.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.335 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.36 77.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.997 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -64.14 -38.23 90.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -68.39 -54.82 14.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.679 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -67.34 -38.46 84.89 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.916 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.64 -51.25 70.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.838 0.351 . . . . 0.0 110.363 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.1 m -65.26 -41.55 94.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.509 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.462 ' CE1' ' SG ' ' A' ' 155' ' ' CYS . 33.1 t80 -56.72 -47.86 79.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.13 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.401 HG22 HD12 ' A' ' 152' ' ' ILE . 86.6 mt -64.38 -43.97 97.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.523 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -58.73 -49.6 77.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.021 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -62.67 -43.94 97.52 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.935 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . 0.462 ' SG ' ' CE1' ' A' ' 151' ' ' TYR . 84.8 m -65.22 -50.64 65.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.24 -35.37 80.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.838 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -57.39 -42.0 81.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.267 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -82.59 8.1 12.8 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.461 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 69.13 24.08 76.01 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -105.73 143.02 34.47 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 110.482 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 96.9 m -79.46 118.38 72.13 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.376 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -68.83 159.36 54.12 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 121.387 1.391 . . . . 0.0 112.735 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.175 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--O 1.23 0.06 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.01 161.46 24.76 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -51.98 158.68 4.58 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 122.344 2.029 . . . . 0.0 111.808 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.2 mt -111.65 155.74 42.56 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.4 163.99 7.68 Favored 'Trans proline' 0 N--CA 1.507 2.293 0 C-N-CA 122.272 1.982 . . . . 0.0 111.654 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.06 127.48 19.64 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.482 2.121 . . . . 0.0 111.898 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.5 tp -47.78 111.6 1.78 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.8 146.63 65.87 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 121.473 1.449 . . . . 0.0 111.732 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.31 93.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.005 0.431 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.523 ' H ' ' CD ' ' A' ' 13' ' ' GLN . 5.3 pm0 -66.56 -31.82 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.451 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -85.9 15.63 4.76 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.456 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -57.53 -31.85 66.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.841 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.6 m -59.79 -42.23 92.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.237 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.5 pt -92.74 18.04 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.111 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -54.96 -56.33 20.86 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 120.828 0.347 . . . . 0.0 110.517 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -68.82 -28.72 67.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.362 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -58.72 -63.86 1.14 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.181 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.85 -39.38 94.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.872 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -59.49 -43.62 93.28 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.498 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.3 m -61.44 -41.97 98.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.028 0.442 . . . . 0.0 110.096 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.5 -38.21 90.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.779 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -51.59 69.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.266 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.69 -37.54 86.76 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.329 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -65.04 -31.86 73.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.13 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -47.3 -32.52 4.78 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.421 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -80.27 -49.7 11.22 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.842 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -68.77 -41.75 78.39 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.302 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -154.46 121.53 2.84 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -75.15 -30.78 6.6 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 121.969 1.779 . . . . 0.0 112.637 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.4 t -62.4 -44.85 99.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.799 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.4 t -60.83 -45.12 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.075 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.77 85.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -53.17 -58.3 7.53 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.942 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -63.31 -46.0 88.75 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.065 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.7 t -58.07 -42.83 86.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.084 0.468 . . . . 0.0 110.207 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.7 ttm-85 -61.42 -41.48 97.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.43 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.2 tp -55.39 -44.34 76.04 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.022 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 35.2 t80 -60.0 -48.25 82.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.415 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.59 83.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.938 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.6 mtp -63.09 -64.29 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.655 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -59.53 -39.9 85.45 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.33 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.9 m -61.48 -52.08 66.02 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.81 -35.71 91.25 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 18.5 ttp -63.28 -41.13 98.96 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 120.857 0.361 . . . . 0.0 110.499 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.5 -40.44 91.36 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.357 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.3 mm -41.49 -87.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.821 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -100.63 -115.48 0.17 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.645 0.26 . . . . 0.0 110.443 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.3 m -155.67 -117.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.892 0.377 . . . . 0.0 110.152 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -137.96 96.85 3.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.141 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -106.81 154.46 40.15 Favored Pre-proline 0 N--CA 1.468 0.472 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.047 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -34.18 -30.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.818 2.345 . . . . 0.0 112.247 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' THR . 1.5 tm-20 -84.9 -60.92 1.91 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.446 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.1 t -62.73 -24.23 67.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -42.58 -54.23 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.233 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -64.58 -39.16 93.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.47 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -59.17 -54.69 44.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.506 ' O ' ' SD ' ' A' ' 64' ' ' MET . 80.4 mt -68.34 -43.09 78.24 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.475 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.1 t -61.54 -50.4 72.83 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.064 0.459 . . . . 0.0 111.209 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -65.3 -42.97 92.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.83 -38.83 92.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.307 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -59.93 -44.01 94.6 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.885 0.374 . . . . 0.0 110.61 178.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.43 -38.76 90.97 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.544 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.02 -45.31 87.13 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.842 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.12 -42.35 98.37 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.285 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -61.73 -37.84 85.7 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.08 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.18 80.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.687 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.3 mt -62.98 -41.96 99.71 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.306 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -61.84 -49.25 77.01 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.389 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -66.1 -40.7 90.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.095 0.474 . . . . 0.0 110.544 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -54.0 -53.75 48.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.522 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -71.86 -43.36 65.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.997 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.76 -94.94 0.14 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 28.5 p-10 -90.04 84.06 6.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.84 0.353 . . . . 0.0 111.422 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -122.77 136.29 54.82 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.238 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 82' ' ' GLN . 84.4 mt-10 -63.72 -43.98 94.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.739 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.56 95.15 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.838 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.6 mm -70.74 -43.69 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.794 0.331 . . . . 0.0 110.79 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 59.0 p -81.36 -63.58 1.37 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.75 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 78' ' ' GLU . 62.4 mt-30 -76.18 117.26 17.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.023 0.44 . . . . 0.0 110.176 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.509 ' H ' ' CD ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -68.22 -40.7 82.03 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.645 -179.505 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.7 pt -56.19 -42.85 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.469 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.61 -44.74 93.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.82 0.343 . . . . 0.0 110.505 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.53 -42.83 99.66 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.62 -40.78 84.64 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.67 84.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.331 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -61.9 -50.65 71.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.638 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.74 -42.96 97.79 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.449 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -56.65 -46.33 81.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.932 0.396 . . . . 0.0 110.489 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.91 -39.08 87.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.321 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -47.34 86.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.63 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.93 89.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.16 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.96 -43.83 98.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.469 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.88 -48.17 83.04 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.344 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 69.4 mtm -69.63 -40.09 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.196 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -60.88 -46.52 90.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.678 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.3 -38.17 89.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.416 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -56.66 -49.45 75.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.92 73.54 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.417 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -58.1 -41.61 83.88 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.352 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -62.55 -41.68 99.05 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.687 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -68.28 -35.05 77.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.029 0.442 . . . . 0.0 110.281 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.34 -49.42 77.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.558 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -67.52 -26.8 66.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.567 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.95 -22.21 66.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.64 30.71 11.25 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -132.49 140.68 48.46 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.79 0.328 . . . . 0.0 110.525 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -123.77 135.36 53.77 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.453 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -146.83 158.47 43.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.203 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -61.52 -26.28 67.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.402 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -61.01 -33.99 74.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.376 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 88.9 mtp -61.47 -44.84 96.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.809 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.404 HD12 HG21 ' A' ' 115' ' ' ILE . 91.6 mt -66.77 -44.58 89.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.938 0.399 . . . . 0.0 110.441 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -64.27 -40.8 96.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.276 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.4 t -61.56 -44.82 96.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.301 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -64.96 -42.36 94.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.802 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -60.98 -45.63 94.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.164 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.2 m -62.08 -43.06 99.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.821 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.74 -49.91 71.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.682 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.5 t -58.6 -40.27 82.77 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.113 0.482 . . . . 0.0 111.097 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.95 -40.86 90.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.293 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.7 tp -62.37 -40.8 97.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.626 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.5 mm -53.71 -46.85 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.078 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.443 ' O ' ' OG1' ' A' ' 129' ' ' THR . 92.5 m-20 -55.75 -46.03 77.92 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.261 0.553 . . . . 0.0 109.817 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 63.5 t -59.49 -26.71 35.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.372 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 98.6 mt -83.05 -29.99 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 120.951 0.405 . . . . 0.0 110.498 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 73.1 p -65.85 -30.42 71.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.747 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.0 m -52.82 -22.76 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.828 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -63.14 -29.87 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.57 -15.57 55.74 Favored Glycine 0 N--CA 1.465 0.604 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -116.18 122.81 46.15 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.6 mt -120.31 145.22 47.32 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.051 0.453 . . . . 0.0 110.289 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.425 ' HG1' ' N ' ' A' ' 136' ' ' ASP . 1.2 t -104.08 160.55 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.537 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.425 ' N ' ' HG1' ' A' ' 135' ' ' THR . 68.4 m-20 -61.59 -41.9 98.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.525 ' O ' ' ND1' ' A' ' 141' ' ' HIS . 93.4 mt-10 -55.42 -49.9 71.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.95 -40.85 95.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 43.6 t -60.93 -47.02 95.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 120.965 0.412 . . . . 0.0 110.002 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -64.77 -44.05 91.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.804 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 137' ' ' GLU . 2.3 m80 -59.7 -38.19 80.92 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -61.54 -54.71 39.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.992 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -67.29 -42.28 84.04 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.928 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.463 ' OH ' ' NZ ' ' A' ' 148' ' ' LYS . 90.7 t80 -60.45 -44.71 95.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.42 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.573 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -49.69 75.89 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 111.104 -179.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -72.23 -45.09 61.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.053 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.463 ' NZ ' ' OH ' ' A' ' 144' ' ' TYR . 17.5 tptm -59.18 -45.97 89.64 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.03 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.35 -53.16 60.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 0.0 111.082 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.6 m -64.23 -41.65 96.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.509 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 80.9 t80 -57.75 -47.71 81.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.855 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.77 -43.09 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.96 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -49.0 77.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.696 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -65.7 -39.78 91.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.694 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 89.8 m -59.24 -48.1 82.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.202 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.57 -40.63 97.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.394 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -58.62 -45.33 89.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.974 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -74.83 -15.71 60.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.814 0.34 . . . . 0.0 110.777 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 89.48 12.4 62.92 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -88.11 143.75 26.89 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.158 0.504 . . . . 0.0 110.285 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.6 p -79.75 116.48 61.29 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.748 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -52.34 152.9 14.41 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.865 1.71 . . . . 0.0 112.505 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.214 179.578 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 ptm . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.32 142.35 56.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.507 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.14 153.55 29.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.469 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.0 mt -122.21 141.1 51.82 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.468 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.54 153.83 3.65 Favored Pre-proline 0 N--CA 1.445 -0.716 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.655 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -59.62 147.57 91.28 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 123.041 2.494 . . . . 0.0 112.244 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.595 ' CD2' ' N ' ' A' ' 7' ' ' LEU . 2.2 mm? -98.35 141.45 22.97 Favored Pre-proline 0 N--CA 1.449 -0.521 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.145 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.8 173.35 0.55 Allowed 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.541 2.16 . . . . 0.0 112.118 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -53.85 135.91 64.38 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.665 2.243 . . . . 0.0 112.177 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tt -92.76 111.83 52.95 Favored Pre-proline 0 N--CA 1.444 -0.739 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.92 164.54 35.29 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.706 2.27 . . . . 0.0 112.146 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.65 -20.33 63.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -60.25 -40.34 89.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.976 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.46 ' CZ ' ' OD2' ' A' ' 50' ' ' ASP . 48.5 m-85 -99.12 18.59 17.03 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.109 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -65.83 -30.47 71.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.999 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 t -66.85 -34.17 77.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.631 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.0 pt -100.86 2.83 10.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.722 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -54.55 -41.08 69.33 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.637 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -63.64 -34.1 77.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.901 0.382 . . . . 0.0 110.561 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.414 ' CD2' ' CE2' ' A' ' 41' ' ' TYR . 76.1 m80 -66.51 -63.82 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.323 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.29 -33.77 69.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.338 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 22' ' ' ARG . 65.1 ttt-85 -60.7 -47.53 85.84 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.357 0.599 . . . . 0.0 110.27 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.407 HG21 ' HD1' ' A' ' 27' ' ' HIS . 6.5 m -63.5 -38.11 89.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.019 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.56 81.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.456 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.705 ' NE2' HH22 ' A' ' 39' ' ' ARG . 74.0 mm-40 -57.59 -36.69 72.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.115 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -69.93 -42.91 72.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.07 0.462 . . . . 0.0 110.736 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 30' ' ' ARG . 16.2 m80 -65.04 -32.86 74.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.618 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -42.59 -31.33 0.44 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.557 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -87.73 -28.09 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.677 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.638 HH11 ' HH ' ' A' ' 93' ' ' TYR . 23.7 ttm180 -88.44 -52.8 4.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' HIS . 19.9 m-20 -151.98 126.1 4.45 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.762 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.55 -26.71 11.6 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.535 2.156 . . . . 0.0 112.159 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.7 -47.38 91.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.006 0.432 . . . . 0.0 110.768 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.6 t -60.67 -43.89 95.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.369 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.16 82.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -50.79 -53.59 30.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.37 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -64.46 -40.3 95.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.733 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.25 -48.04 83.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.705 HH22 ' NE2' ' A' ' 25' ' ' GLN . 79.1 mtt-85 -61.24 -34.8 75.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.485 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.16 -44.12 95.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.041 0.448 . . . . 0.0 110.512 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CE2' ' CD2' ' A' ' 20' ' ' HIS . 61.7 t80 -62.53 -43.98 97.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.671 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.05 94.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.6 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.573 ' SD ' ' SD ' ' A' ' 64' ' ' MET . 7.4 mtt -61.42 -47.16 87.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.038 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -55.95 -55.79 28.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.649 0.593 . . . . 0.0 110.691 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -64.08 -26.1 68.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.9 0.381 . . . . 0.0 110.423 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.468 ' O ' ' OD1' ' A' ' 50' ' ' ASP . . . -67.82 -54.56 17.75 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 20.1 ptp -60.99 -37.35 82.18 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.606 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -61.99 -44.82 95.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.722 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.9 mt -66.81 -45.53 87.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.494 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.468 ' OD1' ' O ' ' A' ' 46' ' ' GLY . 1.1 p30 -145.03 102.37 3.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.215 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.1 m -48.89 -91.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.551 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.506 ' HZ1' ' NH2' ' A' ' 57' ' ' ARG . 7.2 mtmp? -132.25 98.15 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.412 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.2 m -104.21 129.68 24.71 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -40.72 -30.99 0.6 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.62 2.213 . . . . 0.0 112.316 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -85.46 -60.22 2.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.555 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 57.7 m -61.37 -26.6 67.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.45 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.506 ' NH2' ' HZ1' ' A' ' 52' ' ' LYS . 26.7 ttm180 -42.94 -39.38 2.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.565 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -63.28 -45.27 92.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.675 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -63.76 -43.21 97.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.326 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.541 ' O ' ' SD ' ' A' ' 64' ' ' MET . 63.2 mt -63.03 -46.0 89.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.349 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 p -58.99 -44.66 91.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.489 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -66.57 -46.77 74.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.904 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.28 -43.75 98.37 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.281 0.562 . . . . 0.0 110.915 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.573 ' SD ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -60.12 -41.34 92.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.19 179.753 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.72 -39.08 90.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.255 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -53.29 -48.1 68.64 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.516 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.61 -42.02 99.34 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.184 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.3 -38.27 88.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.945 0.402 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.73 -46.03 91.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.648 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.06 -39.57 90.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -58.28 -48.75 79.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.496 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -73.94 -31.17 62.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.612 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -56.54 -43.95 80.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.59 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 mt -86.82 -47.23 9.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.696 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.58 -97.51 1.83 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -91.86 89.15 6.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.459 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -128.5 130.47 47.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.676 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 82' ' ' GLN . 11.3 mt-10 -63.39 -38.93 93.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.603 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.1 -38.77 83.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.927 0.394 . . . . 0.0 110.585 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.427 HG23 HD12 ' A' ' 80' ' ' ILE . 48.7 mm -80.73 -49.24 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.8 p -67.6 -48.1 67.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 78' ' ' GLU . 63.0 mt-30 -97.67 115.12 27.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.366 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.496 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 18.3 pt-20 -70.63 -36.62 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.844 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pt -57.81 -44.61 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.453 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.82 -45.24 99.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.104 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.87 -35.23 91.74 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.567 ' SG ' ' CZ ' ' A' ' 131' ' ' PHE . 70.7 m -63.92 -47.36 80.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.85 0.357 . . . . 0.0 110.592 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.05 85.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.473 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -62.67 -45.74 91.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.498 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.58 -44.67 95.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.739 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -58.26 -42.08 85.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.314 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -39.61 94.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.447 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.638 ' HH ' HH11 ' A' ' 30' ' ' ARG . 0.1 OUTLIER -59.32 -45.55 91.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.658 -179.444 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.364 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.1 -42.3 99.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.665 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -58.94 -47.18 85.98 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.595 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 77.0 mtm -67.87 -36.79 80.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.602 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -61.39 -47.88 83.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.163 0.506 . . . . 0.0 110.401 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.04 -42.02 97.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.474 ' CE2' ' OE1' ' A' ' 104' ' ' GLU . 78.9 t80 -53.97 -46.78 71.76 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.265 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.464 ' O ' ' SD ' ' A' ' 114' ' ' MET . . . -62.13 -45.14 94.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.734 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -62.57 -37.14 85.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.172 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.69 -41.33 97.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.424 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.474 ' OE1' ' CE2' ' A' ' 100' ' ' TYR . 45.1 mt-10 -65.36 -37.12 86.09 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.655 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.2 -44.16 96.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.615 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -62.08 -35.34 78.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.03 -13.5 58.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.533 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.1 26.93 57.06 Favored Glycine 0 CA--C 1.518 0.243 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -133.72 138.61 45.91 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.796 0.331 . . . . 0.0 110.256 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -124.17 136.88 54.5 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.973 0.415 . . . . 0.0 110.226 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -138.73 164.92 28.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.459 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -58.96 -19.12 40.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.544 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -66.02 -37.59 86.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.603 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.489 ' O ' ' OG ' ' A' ' 117' ' ' SER . 5.7 tpp -58.46 -46.76 85.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.615 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 62.7 mt -64.02 -44.41 97.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.33 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.94 -40.16 96.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' A' ' 114' ' ' MET . 62.8 p -62.14 -46.25 89.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.638 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -62.66 -42.27 99.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -62.58 -42.42 99.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.252 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 92.1 m -62.45 -42.66 99.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.277 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.7 89.29 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.383 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.0 t -58.26 -40.72 82.56 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.444 0.64 . . . . 0.0 110.262 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.29 -43.22 92.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.482 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.44 -39.69 94.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.278 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 39.9 mm -54.06 -46.18 65.94 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.078 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.498 ' O ' ' OG1' ' A' ' 129' ' ' THR . 12.4 m-20 -57.71 -47.97 80.89 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.845 0.831 . . . . 0.0 110.343 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 43.8 t -54.1 -27.28 16.2 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.085 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 97.8 mt -83.4 -33.82 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.25 0.548 . . . . 0.0 110.361 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 75.7 p -62.05 -23.71 66.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.916 0.389 . . . . 0.0 110.475 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.2 m -53.86 -33.15 23.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.53 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.567 ' CZ ' ' SG ' ' A' ' 87' ' ' CYS . 57.9 m-85 -63.41 -6.01 4.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.49 2.05 78.61 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -126.07 138.57 53.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 6.4 mt -127.23 140.83 51.96 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.968 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 10.6 p -90.14 160.96 15.99 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.36 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.9 -41.93 98.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.066 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -69.06 -38.11 78.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.599 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -59.28 -48.39 81.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.452 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.11 -44.29 95.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.342 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -62.9 -43.03 99.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.693 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.93 -42.08 93.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -57.09 -51.34 69.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.308 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -63.48 -43.31 97.64 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.418 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.491 ' OH ' ' NZ ' ' A' ' 148' ' ' LYS . 76.2 t80 -60.56 -46.48 90.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.249 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.59 95.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.686 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -60.77 -45.1 95.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.481 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -68.64 -50.85 48.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.609 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.491 ' NZ ' ' OH ' ' A' ' 144' ' ' TYR . 7.7 mmtp -59.09 -45.57 90.52 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.924 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.16 78.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.341 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 25.3 m -70.09 -45.04 67.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -57.73 -48.69 78.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.472 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.5 -44.13 99.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.448 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -64.27 -44.1 92.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.396 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -64.37 -41.29 96.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.783 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 5.5 m -59.09 -47.77 84.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.428 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.76 -41.02 98.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.8 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -62.0 -39.26 91.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.511 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -80.24 -5.32 55.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.529 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 76.04 32.86 51.71 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -114.65 139.2 49.84 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.963 0.411 . . . . 0.0 110.498 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.88 118.76 71.02 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.58 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.75 151.17 15.58 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.611 2.207 . . . . 0.0 112.27 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 163' ' ' GLN . 1.7 pm0 . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.485 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 mmm . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.41 158.89 15.23 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.42 154.29 34.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.355 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.488 ' CD1' HH22 ' A' ' 39' ' ' ARG . 4.9 mt -87.85 144.63 26.49 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.552 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.32 148.28 80.44 Favored Pre-proline 0 CA--C 1.537 0.478 0 C-N-CA 120.244 -0.583 . . . . 0.0 110.487 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.05 138.48 21.79 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.509 2.139 . . . . 0.0 112.577 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.491 ' CD1' ' NE2' ' A' ' 66' ' ' GLN . 6.2 mp -89.35 156.15 48.52 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.474 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -69.42 163.0 39.66 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.157 1.904 . . . . 0.0 112.101 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -50.28 128.14 22.0 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.427 2.085 . . . . 0.0 112.042 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tt -78.41 116.63 60.76 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.91 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.39 157.95 48.82 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.39 2.06 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 -34.67 72.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.655 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -54.96 -18.92 5.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -115.35 21.87 13.73 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.02 0.438 . . . . 0.0 110.628 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -13.14 62.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.5 m -72.46 -16.61 61.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.706 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.6 pt -126.91 23.02 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.049 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -61.55 -45.67 93.17 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -71.29 -32.09 68.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -60.07 -64.85 0.8 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.102 0.477 . . . . 0.0 111.105 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -38.67 80.9 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.375 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -55.89 -42.17 75.54 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 m -61.98 -45.26 94.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.148 0.499 . . . . 0.0 109.909 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.91 78.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.844 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.471 ' O ' ' OD2' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -61.11 -45.93 92.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.855 -179.678 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -78.07 -27.16 48.52 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -82.27 -16.96 47.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.455 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -47.12 -41.86 18.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.159 0.504 . . . . 0.0 110.462 -179.434 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -83.62 -43.2 15.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.517 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.23 -48.24 82.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.994 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -155.64 114.56 2.23 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.942 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.88 -30.63 16.78 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.215 1.944 . . . . 0.0 112.205 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.45 -45.26 96.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.489 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.4 t -64.23 -44.33 97.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.336 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.08 86.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 31.2 t80 -60.14 -50.89 71.92 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.911 0.386 . . . . 0.0 110.783 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -66.69 -42.54 86.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.794 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.6 m -59.33 -41.98 90.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.488 HH22 ' CD1' ' A' ' 4' ' ' LEU . 95.1 mtt180 -64.69 -36.7 85.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.468 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.8 tp -59.16 -49.22 78.69 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.675 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -62.37 -44.28 96.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.055 0.455 . . . . 0.0 110.825 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.23 78.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.058 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.574 ' SD ' ' SD ' ' A' ' 64' ' ' MET . 5.4 mtm -62.76 -58.29 7.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.537 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -42.72 -48.09 5.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.964 0.411 . . . . 0.0 110.545 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.6 m -65.84 -43.86 87.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.66 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -54.76 -60.45 8.67 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 23.2 ptp -55.74 -36.36 67.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.672 0.272 . . . . 0.0 110.399 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -56.7 -37.01 70.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.076 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.7 mt -75.6 -70.0 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.0 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -115.92 107.94 15.63 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.054 0.454 . . . . 0.0 109.885 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 p -54.15 -83.51 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.358 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -135.46 97.72 3.76 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -107.76 131.44 21.73 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.055 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -38.13 -35.87 0.45 Allowed 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.152 1.901 . . . . 0.0 112.66 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -86.32 -60.17 2.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 58.1 m -57.48 -29.05 63.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.605 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -42.49 -36.04 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.246 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -63.22 -49.58 73.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.61 -49.01 79.26 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.997 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.15 -42.51 98.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.778 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.4 t -63.74 -53.57 48.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.913 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -43.96 97.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.284 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.5 tp -61.22 -43.65 98.53 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 119.901 -0.719 . . . . 0.0 110.271 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.574 ' SD ' ' SD ' ' A' ' 43' ' ' MET . 8.4 mmt -63.83 -41.19 97.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.374 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -65.11 -28.9 69.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.007 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.491 ' NE2' ' CD1' ' A' ' 7' ' ' LEU . 10.9 mt-30 -69.44 -43.17 73.86 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.078 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 tp -62.76 -45.02 94.61 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.983 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.22 -29.83 70.91 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.02 0.438 . . . . 0.0 110.171 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.01 -41.24 91.29 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.254 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.51 -41.1 98.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.951 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 75' ' ' GLY . 36.3 ttmt -60.68 -44.62 96.29 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.928 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -67.79 -35.66 79.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -57.85 -50.94 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.669 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.8 mt -89.16 -37.26 15.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.992 0.425 . . . . 0.0 110.728 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . 66.93 -93.06 0.21 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -95.91 87.46 4.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 110.887 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.414 ' O ' ' OG1' ' A' ' 81' ' ' THR . 22.1 t-20 -115.21 143.24 45.55 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.031 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -60.15 -40.45 89.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.405 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.67 -41.71 71.71 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.247 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mm -68.91 -43.67 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.559 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 77' ' ' ASN . 20.4 p -69.85 -45.37 67.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.029 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -102.95 115.97 31.63 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.255 0.55 . . . . 0.0 110.813 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.69 -34.21 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.535 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 pt -63.53 -42.71 97.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.537 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.99 -46.66 95.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.971 0.415 . . . . 0.0 110.112 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.17 -35.61 92.31 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.34 -49.54 75.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.814 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.21 82.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.533 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -59.75 -49.62 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.51 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.99 -44.63 95.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.988 0.423 . . . . 0.0 110.403 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.24 -46.09 76.02 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.617 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.481 ' C ' HD21 ' A' ' 92' ' ' ASN . 0.1 OUTLIER -61.17 -39.31 89.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.908 0.385 . . . . 0.0 110.438 -179.692 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -51.72 68.62 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.091 0.472 . . . . 0.0 110.773 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.86 -36.11 74.05 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.45 -40.67 97.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.4 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -47.45 85.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -69.41 -37.56 77.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.752 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -58.44 -48.3 81.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.956 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.65 -40.95 93.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.843 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.48 -46.12 89.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.763 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.402 ' CB ' ' CE2' ' A' ' 118' ' ' PHE . . . -61.87 -46.25 90.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.056 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -62.28 -44.0 97.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.038 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -62.4 -43.73 98.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.01 0.434 . . . . 0.0 110.843 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.523 ' CD ' HD22 ' A' ' 113' ' ' ASN . 75.9 tt0 -62.32 -37.98 87.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.51 -47.3 84.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.774 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -67.95 -17.67 64.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.395 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.42 -22.02 65.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.437 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 97.63 1.96 58.78 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -129.25 151.86 49.45 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.734 0.302 . . . . 0.0 110.196 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.514 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 0.5 OUTLIER -132.05 144.03 50.47 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.5 -179.072 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -146.86 160.9 41.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.231 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -55.73 -23.44 29.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.523 HD22 ' CD ' ' A' ' 104' ' ' GLU . 28.3 p-10 -60.26 -39.9 88.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.726 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.472 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 30.1 ttm -61.01 -42.66 98.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.686 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.66 -44.67 98.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.49 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -63.9 -38.81 92.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.4 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.4 t -62.09 -46.99 86.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.434 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.402 ' CE2' ' CB ' ' A' ' 101' ' ' ALA . 1.1 m-85 -67.34 -41.85 84.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -58.37 -42.09 86.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.047 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 35.6 m -63.91 -43.62 95.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.727 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.45 -48.14 79.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.6 m -58.98 -42.71 90.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.954 0.406 . . . . 0.0 110.431 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.26 -44.94 95.39 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.976 0.417 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.9 tp -63.17 -39.51 94.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.313 0.577 . . . . 0.0 109.987 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 54.5 mt -56.86 -42.22 77.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.558 ' O ' ' OG1' ' A' ' 129' ' ' THR . 87.7 m-20 -60.8 -41.94 96.62 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 122.411 1.101 . . . . 0.0 109.328 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.403 ' O ' HG21 ' A' ' 130' ' ' VAL . 57.6 t -60.05 -25.9 34.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.742 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.417 HG22 HD12 ' A' ' 128' ' ' ILE . 96.7 mt -85.22 -26.63 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 121.25 0.548 . . . . 0.0 110.684 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.558 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 41.1 p -66.13 -31.0 71.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.57 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 127' ' ' VAL . 16.6 m -54.24 -21.83 6.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.75 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -62.42 -43.24 99.3 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.399 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.31 -22.12 14.12 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 2.8 pm0 -111.3 117.65 33.73 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 120.772 0.32 . . . . 0.0 110.168 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.71 126.2 26.86 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.704 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.83 161.87 25.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.304 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 137' ' ' GLU . 18.3 p-10 -63.39 -46.14 87.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.745 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 136' ' ' ASP . 73.4 tt0 -46.62 -56.45 6.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.271 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.455 ' N ' HD21 ' A' ' 138' ' ' ASN . 1.6 m120 -58.7 -40.71 84.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.383 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.38 -42.06 94.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.948 0.404 . . . . 0.0 110.2 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -58.55 -39.2 79.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.147 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -65.16 -38.88 91.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.575 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -57.68 -57.37 13.04 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -64.84 -38.66 91.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.017 0.437 . . . . 0.0 110.434 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -59.38 -46.25 89.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.428 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.55 -40.97 93.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.086 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -53.49 -45.71 69.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.905 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -75.0 -47.19 30.35 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.048 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -60.65 -47.27 87.01 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.16 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.39 -50.67 70.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.619 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 18.2 m -65.13 -43.21 92.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -57.41 -52.35 65.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.22 -44.34 95.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.669 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . 0.506 ' CD2' ' NZ ' ' A' ' 157' ' ' LYS . 85.7 t60 -56.28 -45.95 79.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.764 0.316 . . . . 0.0 110.785 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.57 ' N ' HD21 ' A' ' 154' ' ' ASN . 1.7 m120 -65.39 -37.37 86.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 66.3 m -61.31 -51.11 70.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.222 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.37 -39.67 95.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.303 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.506 ' NZ ' ' CD2' ' A' ' 153' ' ' HIS . 3.6 ttpm? -62.33 -32.03 72.75 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.8 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -86.23 -11.94 51.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 83.25 25.87 46.24 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -112.69 141.49 46.42 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.064 0.459 . . . . 0.0 110.479 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 4.5 m -78.56 129.26 74.91 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.728 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.85 168.35 23.24 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.553 2.168 . . . . 0.0 112.3 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.21 179.855 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ptp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.58 139.84 35.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.309 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -133.15 145.85 51.04 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.278 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.5 mt -90.05 144.07 26.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.468 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.77 153.36 88.13 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.578 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.02 149.98 77.45 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.71 2.274 . . . . 0.0 111.871 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mp -104.34 153.55 38.96 Favored Pre-proline 0 C--O 1.234 0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.059 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.77 163.84 1.19 Allowed 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.295 1.997 . . . . 0.0 112.016 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.7 135.98 49.68 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.951 2.434 . . . . 0.0 112.013 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -75.39 119.12 75.56 Favored Pre-proline 0 N--CA 1.445 -0.685 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.287 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.97 156.14 38.65 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.624 2.216 . . . . 0.0 112.005 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.16 -25.97 59.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.476 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.54 -43.26 94.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.652 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.7 m-30 -85.06 10.34 12.26 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.113 0.482 . . . . 0.0 110.763 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -59.31 -28.12 66.49 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.611 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.9 p -69.54 -14.42 62.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.25 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.428 HD12 HG23 ' A' ' 17' ' ' ILE . 41.9 pt -122.53 23.4 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.565 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -66.88 -54.21 24.54 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.865 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -68.34 -20.51 64.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.414 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.475 ' CD2' ' CE2' ' A' ' 41' ' ' TYR . 18.9 m80 -69.79 -65.67 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.045 0.45 . . . . 0.0 111.05 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.17 -34.72 78.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.606 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -60.42 -46.88 88.43 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.949 0.404 . . . . 0.0 110.721 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.4 m -68.47 -30.19 68.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.392 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.37 -57.06 14.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -62.36 -38.93 91.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.549 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -60.47 -51.23 70.35 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.718 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' ARG . 1.6 m80 -61.72 -37.13 83.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.682 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -42.68 -33.2 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.3 -42.64 99.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.424 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' HIS . 26.0 mmt180 -85.96 -52.29 5.81 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.993 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -135.53 120.62 13.6 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.629 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.86 -28.1 9.72 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.65 2.234 . . . . 0.0 112.084 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -62.27 -45.4 98.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.3 t -60.31 -44.77 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.103 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.69 -50.46 73.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.522 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -47.78 -58.54 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.798 0.333 . . . . 0.0 110.893 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -62.04 -46.06 90.83 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.173 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 94.3 m -57.06 -36.69 70.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.183 0.516 . . . . 0.0 110.183 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -41.91 92.2 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.363 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.3 tp -56.87 -41.64 78.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.848 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.533 ' CD1' ' OD1' ' A' ' 126' ' ' ASP . 51.7 t80 -60.73 -46.92 88.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.224 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.69 -42.81 89.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.562 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.492 ' O ' ' SD ' ' A' ' 47' ' ' MET . 30.3 mtt -53.98 -60.8 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.454 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 97.7 mt-30 -48.33 -53.17 18.39 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.41 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.6 p -62.04 -41.94 98.64 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.908 0.385 . . . . 0.0 111.271 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.72 -50.53 66.58 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 121.072 -0.585 . . . . 0.0 111.683 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -79.47 -9.56 59.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.908 0.385 . . . . 0.0 110.828 -179.543 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 64.7 tttm -70.64 -45.43 65.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.38 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 88.7 mt -57.7 -47.55 85.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.382 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 51' ' ' SER . 96.7 m-20 -126.37 -94.63 0.46 Allowed 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 2.0 m 159.46 -79.96 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.648 0.592 . . . . 0.0 110.527 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.5 pttt -136.49 94.1 2.96 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.344 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.1 m -101.97 131.84 22.27 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.933 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -41.4 -31.68 1.11 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.564 2.176 . . . . 0.0 112.273 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -84.07 -60.06 2.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.978 0.418 . . . . 0.0 110.449 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' PHE . 60.0 m -58.8 -23.03 59.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.609 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -40.52 -41.74 1.5 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.542 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -65.11 -40.8 95.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.337 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' CYS . 32.3 t80 -63.75 -46.76 83.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.452 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.517 ' O ' ' SD ' ' A' ' 64' ' ' MET . 95.5 mt -63.84 -43.67 95.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.981 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 t -59.22 -48.57 81.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.774 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -66.29 -42.82 87.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.54 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.3 tp -61.66 -43.88 98.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.337 0.589 . . . . 0.0 110.88 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -62.88 -38.25 90.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.312 179.227 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.19 -34.79 78.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.173 0.511 . . . . 0.0 110.404 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -64.98 -43.07 93.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.7 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.84 -49.55 75.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.587 0.708 . . . . 0.0 111.336 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -65.12 -30.06 70.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.063 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.12 97.12 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.029 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.37 -38.96 92.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.332 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -57.33 -50.88 71.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.404 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -66.3 -40.9 90.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.818 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -50.94 -50.05 58.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.586 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.6 mt -76.48 -46.38 27.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.26 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.13 -90.55 1.21 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -100.49 92.43 5.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.774 0.321 . . . . 0.0 110.722 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 78' ' ' GLU . 54.1 t-20 -128.42 133.95 48.68 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.606 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -63.21 -43.11 99.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.508 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.47 96.32 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.872 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.7 mm -73.25 -44.1 55.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.202 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 35.4 p -74.23 -25.57 59.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.952 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 78' ' ' GLU . 69.7 mt-30 -126.26 113.0 16.38 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.396 0.617 . . . . 0.0 110.458 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.574 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 1.4 pm0 -69.3 -35.2 75.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.334 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.0 pt -60.23 -40.73 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.61 -46.26 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.957 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.83 -36.21 92.43 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.299 -1.121 . . . . 0.0 110.299 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.09 -45.17 93.81 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.412 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.7 -36.52 83.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -65.75 -46.94 76.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.466 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.58 -44.07 97.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.516 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -44.58 87.2 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.518 -179.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.548 ' C ' HD21 ' A' ' 92' ' ' ASN . 0.1 OUTLIER -64.33 -40.83 96.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.288 -179.69 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.497 ' O ' ' SD ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -57.33 -47.67 80.95 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.938 -178.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.03 -37.43 84.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.198 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.13 -43.91 87.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.803 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.3 -44.35 95.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.454 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' A' ' 93' ' ' TYR . 2.8 mpp? -66.26 -42.27 88.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -61.93 -49.31 76.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.498 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.12 -41.08 99.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -53.36 -54.16 40.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.496 -178.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.71 -49.87 69.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.981 0.42 . . . . 0.0 110.771 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -56.04 -41.42 75.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.209 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -63.54 -43.37 97.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.621 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -65.8 -34.21 77.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.053 0.454 . . . . 0.0 110.185 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.78 -41.27 78.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.167 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -66.25 -26.04 67.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.477 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.44 -25.48 67.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.432 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.88 -12.83 57.74 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 109' ' ' ARG . 10.0 ptp180 -98.83 136.28 39.08 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -113.06 140.53 47.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.035 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -141.79 162.55 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.539 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -30.33 70.84 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.188 0.518 . . . . 0.0 110.525 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.595 ' OD1' ' N ' ' A' ' 114' ' ' MET . 38.4 p30 -57.95 -24.67 59.0 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.086 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.595 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 3.3 tpp -65.7 -45.79 81.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.717 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.44 -43.3 98.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -38.98 92.2 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.748 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.1 m -61.92 -46.94 87.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.738 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -61.53 -43.77 98.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -55.87 -41.75 74.88 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.898 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.7 m -62.11 -43.18 99.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.398 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.48 -53.96 49.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.704 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.9 m -58.6 -38.23 77.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.097 0.475 . . . . 0.0 110.616 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.548 ' O ' ' OD2' ' A' ' 126' ' ' ASP . 4.3 tp -61.1 -43.74 98.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.764 0.792 . . . . 0.0 110.183 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.06 -39.18 93.96 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 121.563 0.696 . . . . 0.0 110.467 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.4 mp -55.39 -47.66 77.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.216 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.583 ' O ' ' OG1' ' A' ' 129' ' ' THR . 0.9 OUTLIER -59.29 -39.69 83.77 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-O 122.474 1.13 . . . . 0.0 109.962 -178.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.519 ' N ' ' OD1' ' A' ' 126' ' ' ASP . 97.5 t -59.12 -28.26 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.75 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 90.4 mt -82.26 -35.33 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.358 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.583 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 48.7 p -55.95 -27.1 50.92 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.198 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.7 m -52.41 -33.52 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.373 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -69.01 -35.86 77.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.47 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 101.48 -6.9 55.72 Favored Glycine 0 N--CA 1.464 0.527 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.79 109.16 20.78 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.693 0.282 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.81 131.45 49.56 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.29 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -96.79 170.67 9.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.344 179.11 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.415 ' N ' ' OG1' ' A' ' 135' ' ' THR . 98.2 m-20 -64.78 -38.21 90.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.804 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 137' ' ' GLU . 0.4 OUTLIER -57.29 -52.66 64.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.967 -178.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -62.05 -39.89 93.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.718 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.09 -45.21 95.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.186 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -63.35 -40.61 97.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -58.35 -48.3 81.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.789 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -63.49 -48.68 76.6 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.95 -44.03 97.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.789 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -66.28 -43.15 87.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.323 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.14 -46.22 88.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -61.24 -48.94 79.17 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.229 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 53.8 m0 -65.38 -49.17 70.33 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.741 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -63.04 -47.49 82.78 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 123.464 0.478 . . . . 0.0 111.257 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -53.43 -57.2 11.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.85 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 85.9 m -63.29 -42.09 99.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.448 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.452 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 85.8 t80 -57.97 -47.64 82.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.705 -178.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.41 HD11 HG23 ' A' ' 152' ' ' ILE . 95.3 mt -63.34 -44.36 99.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.657 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -57.94 -47.39 83.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.61 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.442 ' N ' HD21 ' A' ' 154' ' ' ASN . 2.8 m120 -65.21 -38.86 91.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.588 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 90.8 m -62.15 -49.22 76.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.037 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.74 -40.79 98.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.585 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -63.13 -31.82 73.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.706 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 154' ' ' ASN . 2.4 m120 -88.54 2.92 52.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.395 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 77.75 -0.9 69.52 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -91.22 148.82 22.08 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.8 0.333 . . . . 0.0 110.507 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 47.0 p -93.48 143.98 27.51 Favored Pre-proline 0 N--CA 1.448 -0.532 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.459 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.02 162.47 38.95 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.863 2.376 . . . . 0.0 112.263 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.35 179.278 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mtp . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.8 165.16 27.14 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.84 147.05 25.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.485 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mt -112.96 140.53 47.69 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.309 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.408 ' O ' ' NE2' ' A' ' 66' ' ' GLN . . . -60.11 149.57 74.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.593 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.02 151.35 82.14 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 122.706 2.271 . . . . 0.0 111.935 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.433 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 7.1 mp -96.42 150.59 37.27 Favored Pre-proline 0 N--CA 1.454 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.877 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -49.25 165.38 0.23 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.497 2.131 . . . . 0.0 111.39 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.17 134.81 62.19 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.856 2.371 . . . . 0.0 111.771 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tp -76.61 116.6 58.05 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.828 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.49 154.24 40.07 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.443 2.096 . . . . 0.0 112.157 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.21 -26.11 64.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -66.11 -32.39 73.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.897 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.402 ' C ' ' N ' ' A' ' 16' ' ' SER . 3.2 m-85 -93.11 -7.93 44.13 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.554 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -44.93 -23.85 0.17 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.784 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 14' ' ' PHE . 65.8 p -61.04 -34.81 75.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.512 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.2 pt -105.11 22.51 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.922 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -62.15 -37.3 84.65 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.635 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -68.1 -37.72 81.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -55.93 -61.86 2.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.271 0.558 . . . . 0.0 111.264 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -48.65 80.16 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.262 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -54.4 -47.81 72.31 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.274 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 18.5 m -64.01 -45.73 87.64 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.744 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.01 -30.52 71.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -62.18 -47.38 84.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' OE2' ' N ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -81.45 -16.43 52.02 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.763 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.524 ' N ' ' OE2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -84.6 -17.96 37.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.678 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -59.96 -40.72 90.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.754 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -84.5 -8.67 58.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.18 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -99.39 -46.89 5.35 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -158.46 100.71 1.7 Allowed Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.486 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -51.82 -33.19 49.72 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.721 2.281 . . . . 0.0 112.071 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.22 -45.34 98.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.488 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.1 t -62.58 -44.96 99.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.222 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.13 97.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -55.07 -53.45 55.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.968 0.414 . . . . 0.0 110.583 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.464 ' OH ' ' O ' ' A' ' 79' ' ' ALA . 51.7 m-85 -68.59 -42.64 77.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.12 0.486 . . . . 0.0 110.93 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.5 t -55.24 -44.32 75.38 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.24 0.543 . . . . 0.0 110.339 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -43.68 98.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.873 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.4 tp -50.8 -46.07 59.57 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.016 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -60.54 -47.25 86.99 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 119.49 -0.884 . . . . 0.0 110.193 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.49 -36.21 63.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.539 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.509 ' O ' ' SD ' ' A' ' 47' ' ' MET . 50.6 mtt -62.63 -63.55 1.19 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.599 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -43.21 -54.52 4.46 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.885 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.3 m -68.49 -42.54 78.5 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.84 0.352 . . . . 0.0 111.423 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -58.48 -54.07 40.73 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 121.226 -0.512 . . . . 0.0 111.966 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.1 OUTLIER -66.58 -29.08 69.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.722 -0.281 . . . . 0.0 110.467 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -58.44 -45.08 89.24 Favored 'General case' 0 C--O 1.231 0.095 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.188 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.9 mt -65.96 -44.33 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.578 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -143.25 110.72 5.81 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.8 m -56.53 -63.72 1.1 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.687 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -156.94 99.64 1.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.592 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.517 HG23 ' H ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER -106.79 157.8 34.32 Favored Pre-proline 0 N--CA 1.465 0.283 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -36.82 -45.31 1.21 Allowed 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.669 2.246 . . . . 0.0 112.44 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 57' ' ' ARG . 24.4 mp0 -86.9 -65.37 1.02 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 111.084 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.517 ' H ' HG23 ' A' ' 53' ' ' THR . 70.8 m -40.8 -22.76 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.795 0.331 . . . . 0.0 110.501 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 55' ' ' GLU . 1.5 tmt_? -51.36 -57.73 8.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.001 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -66.03 -30.54 71.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.631 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -63.59 -48.35 77.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.515 ' O ' ' SD ' ' A' ' 64' ' ' MET . 78.3 mt -65.66 -40.77 92.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.6 m -57.45 -50.69 72.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.933 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -67.86 -39.15 83.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.045 0.45 . . . . 0.0 111.02 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.2 tp -59.97 -46.85 88.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.222 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.594 ' N ' ' SD ' ' A' ' 64' ' ' MET . 0.0 OUTLIER -64.93 -40.32 94.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.915 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -65.17 -36.17 83.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.301 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -59.25 -52.17 66.8 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.571 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -39.52 95.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.214 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.13 -42.13 94.13 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.977 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.37 90.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.953 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.1 mt -61.61 -41.0 96.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.524 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -59.62 -49.7 76.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.381 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -65.6 -38.66 90.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.747 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -52.41 -55.85 18.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.298 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.0 mt -74.68 -44.39 50.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.93 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.43 -101.09 2.65 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -102.07 88.37 3.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.471 0.176 . . . . 0.0 110.788 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.07 139.73 49.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.398 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.416 ' OE2' ' NE2' ' A' ' 82' ' ' GLN . 2.2 tp10 -67.23 -36.56 81.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.195 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.464 ' O ' ' OH ' ' A' ' 37' ' ' TYR . . . -79.05 1.04 25.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.667 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mm -120.93 -21.21 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.728 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 p -99.61 -28.51 13.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.766 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.416 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 74.5 mt-30 -112.14 118.58 35.76 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.951 0.405 . . . . 0.0 110.398 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.89 -37.69 82.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.061 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 85' ' ' VAL . 1.2 pt -62.5 -44.88 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.877 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.428 ' H ' HG13 ' A' ' 84' ' ' ILE . 59.5 t -63.14 -43.94 99.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.94 -42.59 99.76 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.553 ' SG ' ' CD2' ' A' ' 131' ' ' PHE . 19.7 m -61.54 -37.67 84.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.866 0.365 . . . . 0.0 110.14 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.57 89.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.574 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -61.27 -45.34 94.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.104 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.41 -42.87 98.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.58 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.04 -46.81 78.75 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.445 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.411 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -64.05 -40.11 95.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.685 -179.606 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -60.84 -45.82 92.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.793 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.6 85.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.891 0.377 . . . . 0.0 110.177 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.89 -42.35 97.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.01 -46.83 88.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.227 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -66.34 -36.82 83.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.05 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -58.86 -48.46 81.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.052 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.7 mt -68.68 -37.13 79.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.308 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -55.95 -50.76 69.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.047 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.31 -45.47 91.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.357 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -61.0 -40.37 93.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.449 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -61.03 -40.41 93.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.259 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' OE1' ' NE2' ' A' ' 111' ' ' HIS . 14.7 mm-40 -61.64 -40.39 94.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.467 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.477 ' OD1' ' CE ' ' A' ' 114' ' ' MET . 1.9 m-20 -62.86 -43.59 98.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -62.54 -40.56 97.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.19 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.83 -19.81 66.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.16 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.84 30.86 25.25 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.421 ' HG2' HH11 ' A' ' 109' ' ' ARG . 29.9 mtt-85 -122.8 132.03 54.03 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -127.11 133.83 50.33 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.258 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.677 ' HD1' ' H ' ' A' ' 114' ' ' MET . 4.9 p80 -150.84 172.64 15.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.616 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -61.0 -37.41 82.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.649 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.51 -35.58 65.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.212 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.677 ' H ' ' HD1' ' A' ' 111' ' ' HIS . 1.6 ttp -61.97 -40.61 96.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.123 0.487 . . . . 0.0 110.498 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 11.2 mm -66.05 -43.71 92.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.416 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -66.63 -37.48 84.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.371 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.1 t -57.87 -44.73 86.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.942 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -63.42 -45.28 91.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.41 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -62.51 -42.57 99.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.274 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.4 m -61.29 -45.55 94.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.647 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.29 78.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.5 t -62.75 -41.53 99.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.522 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.88 -44.67 96.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.349 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.78 -43.15 99.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.944 0.878 . . . . 0.0 110.331 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 67.7 mt -55.84 -41.87 68.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.57 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.503 ' O ' ' OG1' ' A' ' 129' ' ' THR . 33.3 m-20 -59.52 -43.44 93.42 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.674 0.75 . . . . 0.0 110.015 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.421 ' O ' ' CG2' ' A' ' 130' ' ' VAL . 91.9 t -54.64 -28.73 19.8 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.255 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 55.0 mt -78.16 -33.46 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 121.219 0.533 . . . . 0.0 110.4 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 72.4 p -62.84 -26.13 68.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.679 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.43 ' CG2' ' N ' ' A' ' 131' ' ' PHE . 6.2 m -51.7 -39.89 25.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.553 ' CD2' ' SG ' ' A' ' 87' ' ' CYS . 97.2 m-85 -64.01 -39.98 95.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.852 0.358 . . . . 0.0 110.639 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.86 -21.16 18.95 Favored Glycine 0 N--CA 1.465 0.58 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -89.8 113.21 24.73 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.507 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.99 124.45 23.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.967 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.639 ' CG2' HD21 ' A' ' 138' ' ' ASN . 1.3 t -82.9 159.21 22.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.357 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -62.08 -35.86 79.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.669 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -53.29 -54.0 42.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.122 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.639 HD21 ' CG2' ' A' ' 135' ' ' THR . 52.3 m-80 -61.78 -41.16 97.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.737 0.304 . . . . 0.0 110.837 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.521 ' CG1' ' HZ3' ' A' ' 143' ' ' LYS . 92.9 t -60.63 -46.6 95.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.762 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -62.63 -44.28 96.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.813 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -67.96 -31.72 71.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.407 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -62.84 -49.3 75.45 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.906 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.521 ' HZ3' ' CG1' ' A' ' 139' ' ' VAL . 64.4 mttp -63.52 -40.9 98.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.484 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.19 -46.5 88.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.18 90.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.686 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -60.87 -48.61 81.01 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.409 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -70.54 -41.28 72.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.079 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -59.48 -40.86 88.33 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.608 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -69.51 -48.24 61.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.043 0.449 . . . . 0.0 110.8 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 7.4 m -64.76 -42.07 95.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.808 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -58.53 -49.77 76.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.668 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 93.6 mt -66.16 -44.2 91.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.826 0.346 . . . . 0.0 110.789 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -57.09 -48.25 79.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.702 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.05 -43.03 93.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.87 0.367 . . . . 0.0 110.799 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 160' ' ' GLU . 0.0 OUTLIER -56.23 -48.41 76.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.943 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 44.3 mt -64.11 -35.8 81.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.368 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -61.77 -32.23 72.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.624 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -92.64 9.45 34.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 61.02 39.37 96.98 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.468 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 56.6 mm-40 -114.25 152.73 30.85 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.774 0.321 . . . . 0.0 110.458 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 27.8 m -84.25 123.27 75.33 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.38 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.21 160.35 42.54 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.583 2.188 . . . . 0.0 112.166 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.48 179.742 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.46 132.11 53.01 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.253 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.97 168.53 9.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.182 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.7 mt -106.44 145.4 31.81 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.32 154.51 88.1 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.56 144.91 86.27 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.97 2.447 . . . . 0.0 111.43 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 7' ' ' LEU . 3.4 mm? -91.34 146.27 33.07 Favored Pre-proline 0 C--N 1.328 -0.354 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.201 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -55.07 172.5 0.37 Allowed 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.198 1.932 . . . . 0.0 112.358 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.09 137.46 53.91 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.37 2.047 . . . . 0.0 111.208 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.78 115.97 61.47 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.981 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.22 163.23 25.25 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.347 2.032 . . . . 0.0 112.152 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.5 -26.5 67.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.201 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -57.34 -38.07 73.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.714 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -105.91 42.19 1.29 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.007 0.432 . . . . 0.0 111.031 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -78.73 -28.97 45.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.345 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.5 m -69.55 -41.94 75.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.351 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.4 pt -90.21 10.79 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.619 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -58.76 -49.29 78.18 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.456 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.414 ' O ' ' OG1' ' A' ' 23' ' ' THR . 10.8 m80 -67.55 -33.63 75.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.958 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.48 ' CD2' ' CD1' ' A' ' 41' ' ' TYR . 45.6 m80 -59.3 -64.14 1.05 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.662 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.86 -39.01 90.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.665 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -58.83 -44.64 90.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.154 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 19' ' ' HIS . 32.6 m -60.71 -43.19 98.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.296 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.17 89.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.543 ' CD ' HH22 ' A' ' 39' ' ' ARG . 8.0 mm100 -53.62 -41.65 66.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.975 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -71.26 -46.86 60.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.776 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' ASP . 33.5 m80 -65.27 -17.62 64.65 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.836 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -60.19 -38.56 83.63 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.351 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -74.35 -43.77 55.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -78.05 -52.09 9.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.251 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 27' ' ' HIS . 1.1 m-20 -135.17 110.38 10.73 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.309 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.54 -33.21 8.86 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.928 1.752 . . . . 0.0 112.016 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.87 -45.5 96.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.444 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.09 -43.91 97.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.515 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.77 75.33 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.579 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -52.72 -50.91 62.47 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.829 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -65.65 -43.75 88.47 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.073 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 98.4 m -59.94 -39.91 87.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.703 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.543 HH22 ' CD ' ' A' ' 25' ' ' GLN . 91.6 mtt-85 -64.15 -38.68 91.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.396 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.85 -43.75 90.85 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.48 ' CD1' ' CD2' ' A' ' 20' ' ' HIS . 41.2 t80 -60.77 -45.46 94.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.88 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.702 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.509 ' O ' ' SD ' ' A' ' 47' ' ' MET . 47.3 mtt -60.62 -62.03 2.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.522 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -44.58 -49.15 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.529 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -66.54 -34.92 78.99 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.117 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.78 -60.77 6.54 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.783 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -60.71 -35.61 76.74 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.775 0.322 . . . . 0.0 110.274 -179.682 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -59.65 -47.05 87.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.377 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.8 mt -70.03 -57.35 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.888 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -120.46 121.59 38.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.075 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.8 m -58.52 -94.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.296 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -142.63 106.62 4.71 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.126 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 m -97.85 129.75 30.5 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -39.8 -31.02 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.032 1.821 . . . . 0.0 112.616 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -84.52 -41.99 15.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 59' ' ' PHE . 74.7 m -79.53 -21.56 45.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -41.62 -46.3 3.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.049 0.452 . . . . 0.0 110.541 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.3 -39.35 92.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.179 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' CYS . 27.8 t80 -61.23 -49.07 78.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.793 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.88 -41.99 99.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.603 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.0 m -60.77 -48.15 83.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.51 -35.58 81.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.988 0.423 . . . . 0.0 110.647 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.81 -47.98 81.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.58 0.705 . . . . 0.0 110.954 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.518 ' N ' ' SD ' ' A' ' 64' ' ' MET . 0.0 OUTLIER -64.37 -32.26 73.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.664 178.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.28 -39.96 92.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.432 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.523 ' OE1' ' NH1' ' A' ' 39' ' ' ARG . 72.6 mt-30 -65.36 -36.67 84.7 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.244 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 tt -57.96 -51.92 67.65 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.982 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' HA ' ' HZ2' ' A' ' 71' ' ' LYS . 11.6 pt-20 -67.42 -33.41 75.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.266 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.74 78.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.422 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.14 -41.44 97.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.626 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.447 ' HZ2' ' HA ' ' A' ' 68' ' ' GLU . 4.6 ttpm? -59.03 -46.24 88.7 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.588 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.81 -38.61 86.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.321 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -52.56 -56.02 18.14 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.523 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.8 mt -77.36 -41.88 38.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.977 0.418 . . . . 0.0 110.695 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.69 -103.16 1.14 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -83.5 83.89 7.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.84 0.352 . . . . 0.0 110.608 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.97 132.84 56.1 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.805 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.07 -41.65 97.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.113 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.92 -40.12 91.15 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.036 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.6 mm -69.69 -43.94 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 0.0 110.566 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.8 p -73.1 -47.72 41.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.062 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -98.42 121.95 41.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.386 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.491 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 5.4 pm0 -69.94 -36.86 75.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.943 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.469 ' CG1' ' N ' ' A' ' 85' ' ' VAL . 6.2 pt -60.06 -44.82 95.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.273 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.469 ' N ' ' CG1' ' A' ' 84' ' ' ILE . 77.6 t -63.15 -46.38 96.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.014 0.435 . . . . 0.0 109.907 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.41 -40.66 97.96 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 83' ' ' GLU . 100.0 m -63.12 -40.28 97.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.284 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.01 96.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.398 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -60.14 -47.52 85.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.888 0.375 . . . . 0.0 110.6 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.41 -42.24 98.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.362 0.601 . . . . 0.0 110.511 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -63.69 -39.77 95.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.677 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.14 -39.12 85.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.137 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -45.3 94.78 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.322 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.47 -44.83 72.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.387 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.36 -38.56 91.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.762 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -55.33 -50.02 70.7 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.401 -0.52 . . . . 0.0 109.855 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -69.62 -41.22 75.95 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.855 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.526 ' CD2' ' NE2' ' A' ' 141' ' ' HIS . 33.0 t80 -61.17 -48.25 82.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.574 -178.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.1 mt -65.21 -41.84 94.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.58 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -61.14 -46.32 91.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.474 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.2 -50.42 65.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.262 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -58.02 -41.11 82.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.586 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -61.59 -41.15 97.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.386 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.33 -37.79 86.18 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.392 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.97 -43.46 95.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.71 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -63.79 -36.07 82.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.399 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.62 -15.43 61.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.267 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.76 19.58 63.25 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.45 ' CD ' ' NE2' ' A' ' 111' ' ' HIS . 39.0 ttm-85 -116.23 125.19 51.89 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.421 ' O ' ' ND1' ' A' ' 111' ' ' HIS . 17.1 m-85 -108.53 134.89 50.69 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.45 ' NE2' ' CD ' ' A' ' 109' ' ' ARG . 41.0 m-70 -146.74 151.07 36.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.462 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -55.45 -28.95 57.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.522 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -56.95 -33.1 66.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.152 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.428 ' O ' ' OG ' ' A' ' 117' ' ' SER . 89.3 mtp -63.72 -41.64 98.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.535 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.8 mm -62.44 -44.84 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.588 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -63.14 -39.72 95.48 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 114' ' ' MET . 60.4 p -58.87 -45.94 88.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -63.8 -42.79 97.62 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.039 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -57.27 -45.49 83.99 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.247 0.546 . . . . 0.0 109.765 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 15.4 m -63.2 -42.0 99.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.375 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.49 -48.33 77.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.581 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.7 p -58.28 -39.24 78.75 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.213 0.53 . . . . 0.0 110.689 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.35 -41.48 98.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.134 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -42.63 85.42 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.882 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 45.5 mm -58.4 -47.58 87.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.113 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.477 ' O ' ' OG1' ' A' ' 129' ' ' THR . 1.1 m-20 -52.5 -47.83 66.35 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-O 121.434 0.635 . . . . 0.0 110.813 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 29.7 t -60.5 -29.14 43.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.083 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.4 mt -81.67 -29.54 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.952 0.406 . . . . 0.0 110.466 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 65.1 p -65.04 -27.57 68.89 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.645 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.5 m -51.4 -34.42 15.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 119.704 -0.798 . . . . 0.0 110.496 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.468 ' CZ ' ' SG ' ' A' ' 87' ' ' CYS . 94.2 m-85 -68.36 -36.03 78.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.941 0.401 . . . . 0.0 110.863 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 98.49 -11.98 63.17 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -83.34 93.07 7.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.46 132.32 54.29 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 3.7 p -103.53 171.31 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.193 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -62.21 -42.91 99.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.015 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.31 -45.89 91.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.798 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -63.85 -39.9 95.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.619 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 40.6 t -61.13 -46.04 97.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.203 0.525 . . . . 0.0 109.71 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -68.87 -26.13 64.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.297 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.526 ' NE2' ' CD2' ' A' ' 98' ' ' PHE . 36.0 t-80 -61.68 -49.42 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.473 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 143' ' ' LYS . 13.4 ptm180 -68.48 -41.18 80.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.584 ' NZ ' ' CE3' ' A' ' 147' ' ' TRP . 0.0 OUTLIER -64.39 -50.06 69.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.442 -178.792 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -60.11 -48.27 82.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.25 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.57 -41.76 90.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.319 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -56.14 -57.3 12.76 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.273 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . 0.584 ' CE3' ' NZ ' ' A' ' 143' ' ' LYS . 45.2 m0 -62.72 -51.42 67.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.351 -178.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -57.41 -44.07 84.25 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.423 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -53.77 -53.14 56.5 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.654 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 36.8 m -69.26 -32.17 71.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.207 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -58.91 -53.08 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.929 -178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.521 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 96.1 mt -67.86 -42.64 86.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.849 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -56.63 -48.35 77.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.069 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -65.67 -42.34 91.43 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.178 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 156' ' ' LEU . 1.6 p -56.41 -46.48 80.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 111.011 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.604 ' N ' ' SG ' ' A' ' 155' ' ' CYS . 12.9 mt -64.65 -41.23 96.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.779 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -59.9 -38.34 82.02 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -78.63 -17.71 55.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.698 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 84.28 32.12 23.59 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -117.87 148.49 42.08 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.716 0.294 . . . . 0.0 110.71 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 78.7 m -78.85 123.1 85.31 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.72 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.49 160.58 44.16 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.01 1.807 . . . . 0.0 112.492 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.194 179.584 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.56 ' N ' ' SD ' ' A' ' 1' ' ' MET . 2.2 mpt? . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.92 138.71 15.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.508 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.28 135.78 19.36 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.4 mt -82.88 152.07 25.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.437 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.26 162.43 73.78 Favored Pre-proline 0 C--N 1.326 -0.43 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.862 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.63 147.28 81.51 Favored 'Trans proline' 0 N--CA 1.498 1.737 0 C-N-CA 122.986 2.457 . . . . 0.0 112.087 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 7' ' ' LEU . 1.4 mm? -101.63 151.18 37.82 Favored Pre-proline 0 C--O 1.235 0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.054 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.28 162.95 0.71 Allowed 'Trans proline' 0 C--N 1.316 -1.15 0 C-N-CA 122.248 1.965 . . . . 0.0 111.569 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.07 126.59 19.27 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 123.035 2.49 . . . . 0.0 111.655 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 tp -63.4 112.94 8.05 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.384 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -62.97 150.93 87.12 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 122.672 2.248 . . . . 0.0 111.985 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.84 -25.33 64.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -63.21 -37.93 89.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -101.68 25.77 8.14 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.878 0.371 . . . . 0.0 110.669 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -65.6 -40.31 92.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.681 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -55.81 -35.81 66.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.595 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.0 pt -94.97 21.38 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.171 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -63.94 -43.34 96.15 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.344 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -66.46 -36.68 83.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.715 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -56.47 -65.3 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.038 0.446 . . . . 0.0 111.136 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -35.15 73.11 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.532 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -60.3 -45.47 93.24 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.768 0.794 . . . . 0.0 110.076 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.424 ' CG2' ' HD1' ' A' ' 27' ' ' HIS . 11.6 m -62.18 -42.9 99.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.786 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -58.9 -40.91 85.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.323 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.771 HE21 HH22 ' A' ' 39' ' ' ARG . 72.9 mm-40 -56.44 -44.3 80.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.996 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -77.74 -35.53 51.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.417 0.627 . . . . 0.0 110.618 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.424 ' HD1' ' CG2' ' A' ' 23' ' ' THR . 2.4 m80 -75.54 -16.96 60.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.723 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ALA . 10.2 m-20 -59.31 -36.13 75.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.951 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -95.84 -34.58 11.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.774 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -76.03 -44.79 37.6 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.979 0.418 . . . . 0.0 110.968 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -147.77 93.08 4.6 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.345 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.59 -43.24 59.4 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 122.735 2.29 . . . . 0.0 112.547 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.1 -46.04 97.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.483 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 73.5 t -59.44 -45.13 93.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.171 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.23 93.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.703 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -52.02 -57.24 10.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.935 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -62.72 -42.05 99.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 96.6 m -58.91 -40.9 85.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.033 0.444 . . . . 0.0 110.319 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.771 HH22 HE21 ' A' ' 25' ' ' GLN . 26.2 mmt180 -63.24 -41.0 99.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.44 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.2 tp -57.53 -42.88 83.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.181 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.3 -45.93 89.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.225 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.3 87.27 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.621 0.576 . . . . 0.0 110.874 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.2 mtt -60.34 -49.15 78.73 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.448 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -55.74 -58.46 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.5 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.8 t -61.49 -33.0 73.04 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.706 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.57 -63.78 4.69 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 22.3 ptp -60.52 -25.87 66.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 110.426 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -64.42 -49.57 71.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.448 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.39 -45.71 95.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.719 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' A' ' 51' ' ' SER . 47.2 t0 -121.7 -122.76 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.258 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.497 ' H ' ' CG ' ' A' ' 50' ' ' ASP . 39.7 t -176.78 -101.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.513 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -136.14 98.03 3.76 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.7 m -98.19 131.86 25.57 Favored Pre-proline 0 CA--C 1.537 0.444 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.078 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -40.27 -32.06 0.65 Allowed 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 122.286 1.991 . . . . 0.0 112.36 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -86.27 -61.15 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.98 0.419 . . . . 0.0 110.429 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' PHE . 35.9 m -59.9 -27.14 66.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.641 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -41.68 -41.35 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.485 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -63.49 -42.82 98.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.273 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 56' ' ' CYS . 68.8 t80 -62.37 -48.68 78.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.401 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.475 ' O ' ' SD ' ' A' ' 64' ' ' MET . 27.7 mt -63.94 -40.85 97.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.5 m -59.92 -51.23 70.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.043 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.16 -37.91 89.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.37 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.609 ' CD1' HH11 ' A' ' 39' ' ' ARG . 29.4 tp -59.76 -48.34 82.07 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-O 121.636 0.731 . . . . 0.0 110.972 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.57 ' N ' ' SD ' ' A' ' 64' ' ' MET . 0.0 OUTLIER -61.8 -37.87 86.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.085 -179.666 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -63.92 -38.66 91.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.079 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -58.54 -47.22 84.92 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.186 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.19 -43.2 99.26 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.719 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -63.79 -34.18 77.33 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.21 90.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.512 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.98 -40.48 95.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.587 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -61.08 -47.73 84.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.169 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -67.64 -42.82 81.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.693 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -58.63 5.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.866 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.545 ' CB ' HD22 ' A' ' 77' ' ' ASN . 28.4 mt -73.17 -42.02 63.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.689 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.16 -99.4 2.34 Favored Glycine 0 N--CA 1.46 0.255 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -130.34 87.25 2.48 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.966 0.413 . . . . 0.0 110.817 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.546 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -97.26 156.72 16.3 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.786 -179.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.522 ' OE2' ' NE2' ' A' ' 82' ' ' GLN . 5.6 tp10 -53.0 -37.22 61.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.834 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.93 -37.75 61.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.891 0.377 . . . . 0.0 111.312 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.1 mm -85.05 -5.42 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.76 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 77' ' ' ASN . 64.3 p -116.97 -8.31 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.961 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.522 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 43.1 mt-30 -139.05 117.09 11.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.047 0.451 . . . . 0.0 110.077 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -67.06 -34.92 78.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.925 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.492 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 1.0 OUTLIER -60.31 -40.74 84.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.465 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.427 ' H ' HG13 ' A' ' 84' ' ' ILE . 72.3 t -68.08 -44.88 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.815 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.92 -44.3 92.55 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 88' ' ' ALA . 4.5 p -65.09 -41.16 95.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.95 0.405 . . . . 0.0 110.56 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.537 ' N ' ' SG ' ' A' ' 87' ' ' CYS . . . -63.58 -36.84 85.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.743 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.419 ' NE2' ' CZ ' ' A' ' 93' ' ' TYR . 33.6 t60 -63.33 -49.27 74.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.97 -42.71 97.18 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.775 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -56.19 -45.2 79.87 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.295 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.426 HD21 ' C ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -64.31 -40.64 96.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.419 ' CZ ' ' NE2' ' A' ' 89' ' ' HIS . 2.6 m-85 -59.7 -46.04 90.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.712 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.96 -46.22 85.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.966 0.412 . . . . 0.0 110.218 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.11 -41.38 98.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.026 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -59.94 -47.33 86.24 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.428 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 49.2 mtm -68.67 -39.83 80.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.705 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -59.54 -46.85 87.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.55 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.62 -39.95 95.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.262 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -55.32 -44.42 75.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.926 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.41 84.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.554 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.33 -38.59 84.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.434 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.443 HD21 ' N ' ' A' ' 103' ' ' ASN . 2.5 m120 -62.12 -41.3 98.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.244 0.545 . . . . 0.0 110.232 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -70.83 -23.82 62.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.946 0.403 . . . . 0.0 110.175 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -74.13 -52.71 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.337 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -67.04 -23.44 65.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.503 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.29 -14.14 61.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.591 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 86.12 -21.69 15.31 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -82.96 142.41 31.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 0.0 110.316 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -126.4 138.72 53.57 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.278 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -145.86 156.58 43.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.405 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -59.66 -18.32 41.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.418 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -62.34 -37.22 84.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.406 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 55.4 mtp -58.33 -42.96 87.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.981 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 33.7 mm -62.45 -48.64 87.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.071 0.462 . . . . 0.0 110.345 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -65.64 -35.97 82.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.233 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.2 m -60.15 -45.89 91.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.761 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -63.59 -41.4 98.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.48 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -59.39 -44.26 92.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.954 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.3 m -60.31 -43.7 96.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.237 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.26 -49.44 69.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.263 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.3 t -60.31 -40.47 90.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.425 0.631 . . . . 0.0 110.417 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 tp -58.95 -43.83 91.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.127 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.8 tp -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.959 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.47 -43.89 42.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.552 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.463 ' O ' ' OG1' ' A' ' 129' ' ' THR . 98.5 m-20 -59.4 -48.64 80.85 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-O 121.762 0.791 . . . . 0.0 109.979 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.85 -24.16 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.136 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 95.5 mt -84.28 -31.76 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.52 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 71.1 p -64.72 -32.39 74.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 -178.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 11.9 m -54.54 -29.23 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.596 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -62.6 -41.14 98.79 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.806 0.336 . . . . 0.0 110.351 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.74 0.99 25.87 Favored Glycine 0 N--CA 1.468 0.797 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -114.5 125.89 54.33 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.041 0.448 . . . . 0.0 110.619 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.88 111.42 14.14 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.135 0.493 . . . . 0.0 110.219 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 138' ' ' ASN . 9.2 t -89.04 168.13 12.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.239 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -64.06 -42.3 97.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.737 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.415 ' OE1' ' OG1' ' A' ' 135' ' ' THR . 56.2 mp0 -56.02 -43.15 77.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.028 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.441 ' H ' HG22 ' A' ' 135' ' ' THR . 92.7 m-20 -64.57 -45.01 88.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.802 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 89.9 t -65.45 -43.96 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.72 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -61.96 -44.31 97.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.948 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.415 ' O ' ' CB ' ' A' ' 145' ' ' ALA . 45.7 m170 -65.91 -36.29 82.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.156 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 54.0 ttt85 -56.85 -62.04 2.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.824 0.345 . . . . 0.0 110.703 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 144' ' ' TYR . 16.5 pttp -65.31 -43.65 90.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.451 ' N ' ' CG ' ' A' ' 143' ' ' LYS . 70.5 t80 -62.15 -45.25 94.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.379 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 141' ' ' HIS . . . -63.39 -48.67 76.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.422 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -56.73 -47.39 80.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.186 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -66.3 -46.93 75.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.662 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -60.94 -42.91 99.1 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.62 -55.52 32.91 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.718 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 8.9 m -69.1 -41.17 77.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.165 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.502 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 85.3 t80 -58.65 -47.58 83.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 81.2 mt -63.43 -43.48 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.959 -0.297 . . . . 0.0 110.596 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -58.99 -48.49 81.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.866 0.365 . . . . 0.0 110.545 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -66.39 -38.57 87.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.706 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 96.9 m -60.51 -42.87 97.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.68 -40.86 92.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.711 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -58.96 -44.03 91.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.437 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -78.77 -3.16 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.48 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 79.1 8.16 88.01 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -81.59 145.23 30.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 110.713 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.8 m -88.84 118.02 68.87 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.519 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -53.35 148.39 33.27 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.343 2.028 . . . . 0.0 112.394 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.102 179.856 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.574 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.12 106.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.423 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.81 142.32 13.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.441 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.1 mt -78.76 146.2 33.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.114 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.34 158.4 69.25 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.833 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -60.88 151.24 78.88 Favored 'Trans proline' 0 N--CA 1.504 2.141 0 C-N-CA 122.291 1.994 . . . . 0.0 112.138 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 7' ' ' LEU . 1.3 mm? -105.95 144.3 28.63 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.049 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.5 165.08 32.99 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.369 2.046 . . . . 0.0 112.121 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.15 126.6 8.09 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.076 1.851 . . . . 0.0 111.388 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 tp -61.08 117.13 23.01 Favored Pre-proline 0 CA--C 1.543 0.7 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.947 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -54.9 156.53 15.17 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 121.997 1.798 . . . . 0.0 112.125 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.45 91.01 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.066 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.56 -20.06 62.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.964 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.638 ' CZ ' ' SG ' ' A' ' 56' ' ' CYS . 3.2 m-30 -92.47 8.3 39.3 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.069 0.461 . . . . 0.0 110.433 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -61.53 -37.22 82.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.347 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 m -57.63 -34.14 68.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.879 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.2 pt -96.02 18.46 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.048 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -61.97 -45.19 94.72 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.275 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.416 ' O ' ' OG1' ' A' ' 23' ' ' THR . 15.0 m-70 -69.88 -37.66 76.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.883 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.446 ' CD2' ' CD1' ' A' ' 41' ' ' TYR . 56.8 m80 -53.87 -61.7 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 111.342 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.57 -40.12 92.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -59.88 -42.43 93.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.053 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 19' ' ' HIS . 34.6 m -62.15 -44.26 97.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.16 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.36 96.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.465 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -57.9 -45.33 86.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.429 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -70.85 -44.76 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.753 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.615 ' CE1' HH21 ' A' ' 30' ' ' ARG . 23.0 m80 -64.22 -34.89 79.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.178 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 41.1 t0 -46.69 -31.29 2.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.395 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -84.39 -19.43 33.55 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.317 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.615 HH21 ' CE1' ' A' ' 27' ' ' HIS . 83.8 mtm180 -103.08 -52.22 3.09 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.775 0.321 . . . . 0.0 110.918 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -139.95 92.32 9.88 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.491 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.88 -36.13 62.4 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 122.664 2.243 . . . . 0.0 112.529 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.08 -45.05 96.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.59 -43.88 98.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.989 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -43.42 95.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.621 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -55.82 -50.24 71.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 110.287 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -63.78 -42.96 97.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.451 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.8 m -61.66 -39.92 93.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.196 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' A' ' 66' ' ' GLN . 85.9 mtt-85 -62.5 -37.17 84.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.315 179.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.4 -47.58 85.45 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.341 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.446 ' CD1' ' CD2' ' A' ' 20' ' ' HIS . 55.4 t80 -61.59 -42.97 99.63 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.84 -50.89 62.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 38.8 mtt -63.01 -45.5 92.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.171 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 1.6 mt-30 -51.69 -51.11 58.53 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.04 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.6 m -71.42 -42.78 67.85 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.709 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.15 -49.29 76.24 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.412 ' SD ' ' HA ' ' A' ' 44' ' ' GLN . 5.2 ptm -67.51 -29.27 68.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -59.27 -49.99 75.73 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.007 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.4 HD11 HG22 ' A' ' 49' ' ' ILE . 88.8 mt -63.16 -48.41 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.547 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' CG ' ' OG1' ' A' ' 53' ' ' THR . 15.7 t0 -145.5 100.11 3.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.88 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.5 m -47.85 -81.0 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.76 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -115.23 104.76 12.15 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.42 ' OG1' ' CG ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -107.36 133.39 20.38 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -42.28 -42.23 7.55 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.06 1.84 . . . . 0.0 112.765 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -85.16 -53.26 5.37 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.741 0.305 . . . . 0.0 111.418 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.638 ' SG ' ' CZ ' ' A' ' 14' ' ' PHE . 4.4 t -58.61 -21.74 54.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.046 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -49.79 -42.59 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.2 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -62.28 -44.14 97.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.236 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.44 -47.41 84.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.187 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.53 -41.77 98.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.559 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.5 m -55.77 -61.37 2.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.871 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -63.37 -43.81 96.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.057 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.9 tp -56.88 -48.01 79.16 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.668 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.03 -38.62 89.38 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.467 -0.493 . . . . 0.0 109.883 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.38 -37.85 82.08 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.942 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.518 ' OE1' ' NH1' ' A' ' 39' ' ' ARG . 70.0 mt-30 -63.74 -37.85 88.9 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.283 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.02 -48.62 80.94 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.904 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.7 -32.71 73.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.126 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.33 96.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.023 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.77 -41.92 97.88 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.378 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -61.63 -47.19 86.55 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.229 -0.588 . . . . 0.0 109.64 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -69.26 -40.22 77.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -56.57 -51.81 67.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.4 mt -70.76 -41.35 71.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.53 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.03 -99.54 0.51 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -87.15 85.4 7.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.926 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.83 129.7 53.66 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.753 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -66.73 -39.71 88.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.46 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.03 -39.66 83.06 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.993 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.7 mm -69.45 -45.16 79.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.852 0.358 . . . . 0.0 110.76 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.54 ' HG1' ' H ' ' A' ' 82' ' ' GLN . 52.7 p -69.64 -47.18 64.27 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.067 -179.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.54 ' H ' ' HG1' ' A' ' 81' ' ' THR . 63.1 mt-30 -96.09 117.63 31.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.421 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.572 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 3.5 pm0 -69.57 -37.34 76.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.977 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.5 pt -62.33 -42.55 95.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.485 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.9 t -64.05 -46.52 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.97 -38.64 95.72 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.7 t -64.1 -43.31 95.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.332 . . . . 0.0 110.316 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.74 90.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.319 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.567 ' NE2' ' CE1' ' A' ' 93' ' ' TYR . 57.8 t60 -61.87 -44.0 97.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.389 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.73 -42.85 97.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.4 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -58.59 -44.66 89.93 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.14 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.94 -39.21 93.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.744 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.567 ' CE1' ' NE2' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -58.27 -46.25 86.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.335 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.41 93.56 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.654 -0.419 . . . . 0.0 109.871 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.46 -42.73 98.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.395 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -62.44 -45.91 90.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.863 0.364 . . . . 0.0 110.582 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 48.7 mtm -66.94 -39.02 87.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.846 0.355 . . . . 0.0 110.549 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -60.08 -46.47 89.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.61 -40.76 97.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.346 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -58.23 -44.18 88.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.931 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.97 -48.02 83.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.549 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.47 -40.81 97.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.922 0.392 . . . . 0.0 110.526 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -62.72 -43.4 98.89 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.194 0.521 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.99 -33.97 76.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.897 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -61.2 -44.7 96.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.781 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -64.98 -24.9 67.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.244 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.09 -25.41 68.35 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.445 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.75 -24.08 19.6 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -83.04 139.36 33.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.022 0.439 . . . . 0.0 110.204 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.54 135.27 54.85 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.4 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.444 ' ND1' ' N ' ' A' ' 112' ' ' LYS . 41.6 t-80 -147.53 162.36 39.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.092 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.444 ' N ' ' ND1' ' A' ' 111' ' ' HIS . 64.2 mmtt -56.89 -17.82 10.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -61.92 -36.98 82.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.453 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 38.5 mmm -60.36 -44.84 95.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 40.9 mm -62.37 -44.07 98.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.913 0.387 . . . . 0.0 110.204 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -63.93 -41.82 97.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.552 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.5 p -59.29 -46.36 88.77 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.866 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -64.66 -43.0 95.0 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.836 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -63.9 -42.12 97.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.435 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.4 m -59.79 -43.88 94.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.605 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.69 -48.89 79.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.742 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 93.9 p -58.34 -37.5 75.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.039 0.447 . . . . 0.0 110.913 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.84 -43.78 95.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.481 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.88 -36.27 83.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.675 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.24 -44.73 92.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.67 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.451 ' O ' ' OG1' ' A' ' 129' ' ' THR . 99.5 m-20 -60.44 -42.89 97.03 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 121.454 0.645 . . . . 0.0 110.027 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.1 t -57.61 -28.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.055 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 97.6 mt -81.1 -34.39 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.8 0.333 . . . . 0.0 110.542 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 73.8 p -62.28 -26.02 68.17 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.78 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.3 m -52.53 -31.89 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.771 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -63.91 -27.42 69.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.619 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.61 -19.12 54.88 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 1.1 mp0 -95.79 122.06 38.17 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.881 0.372 . . . . 0.0 110.35 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.7 mt -129.54 138.63 51.44 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.133 0.492 . . . . 0.0 110.771 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.514 ' HG1' ' H ' ' A' ' 137' ' ' GLU . 0.2 OUTLIER -105.76 149.07 26.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.89 178.275 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.435 ' N ' ' HG1' ' A' ' 135' ' ' THR . 98.8 m-20 -50.61 -30.76 14.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.589 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.514 ' H ' ' HG1' ' A' ' 135' ' ' THR . 1.4 mp0 -64.45 -50.8 66.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.518 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -45.5 93.34 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.198 -179.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.82 -45.21 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -62.9 -41.0 99.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.579 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -63.6 -40.31 96.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.188 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -62.19 -53.65 52.24 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.114 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -64.26 -38.58 91.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.945 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -59.85 -48.76 80.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.243 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.91 73.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.5 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -60.0 -50.12 75.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.533 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -66.62 -42.03 87.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.383 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -62.39 -43.44 98.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.007 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.03 -49.87 75.66 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.547 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 21.4 m -71.26 -42.8 68.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.578 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -57.53 -49.54 75.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.617 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.22 -44.0 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.3 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -61.62 -43.74 98.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.694 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -62.56 -41.24 98.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.574 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 160' ' ' GLU . 87.8 m -60.92 -44.68 96.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.897 0.38 . . . . 0.0 110.442 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.41 -38.38 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.45 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -57.03 -40.66 77.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.646 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -90.55 5.91 45.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.547 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 71.55 12.42 73.56 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 155' ' ' CYS . 96.9 mt-10 -87.07 148.35 25.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.607 0.242 . . . . 0.0 110.417 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.3 m -95.9 124.15 53.22 Favored Pre-proline 0 CA--C 1.54 0.574 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.723 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.6 162.04 40.72 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.036 1.824 . . . . 0.0 112.296 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.11 179.474 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtp . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.58 124.54 7.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.222 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.01 152.73 19.85 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.281 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.574 ' CD1' ' NH2' ' A' ' 39' ' ' ARG . 46.4 mt -94.91 151.87 18.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.108 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.83 150.92 93.96 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.924 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.26 151.66 76.41 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.528 2.152 . . . . 0.0 111.379 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.455 ' CD1' ' NE2' ' A' ' 66' ' ' GLN . 6.8 mp -106.43 154.7 39.7 Favored Pre-proline 0 N--CA 1.469 0.5 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -67.34 167.93 19.16 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.552 2.168 . . . . 0.0 111.349 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -44.94 133.95 10.79 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.972 1.781 . . . . 0.0 111.797 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.24 118.44 72.48 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.413 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -54.62 153.61 23.15 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 121.793 1.662 . . . . 0.0 112.72 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.13 96.26 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.521 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -64.37 -17.96 64.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.677 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -97.35 5.57 49.65 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.675 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -58.06 -26.85 63.03 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -66.55 -48.17 70.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.739 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.403 ' HA ' ' HD1' ' A' ' 20' ' ' HIS . 31.4 pt -85.8 -1.97 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.091 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -53.16 -42.11 65.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.97 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -65.55 -38.57 90.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.236 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.403 ' HD1' ' HA ' ' A' ' 17' ' ' ILE . 35.9 m80 -59.86 -61.69 2.43 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -36.11 76.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.516 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -58.88 -45.79 89.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.922 0.391 . . . . 0.0 110.621 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.2 m -63.79 -42.42 97.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.214 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.21 93.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.265 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -58.47 -44.22 89.23 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -70.3 -50.19 41.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' ASP . 13.5 m80 -61.64 -37.14 82.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.316 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -43.89 -39.64 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.675 0.274 . . . . 0.0 110.433 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -66.75 -40.66 88.37 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.675 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 -86.85 -54.05 4.57 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' HIS . 17.8 t0 -127.56 106.02 21.11 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-O 119.723 -0.179 . . . . 0.0 110.999 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.35 -30.65 19.24 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.272 1.315 . . . . 0.0 112.036 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.6 -46.5 94.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.3 t -63.03 -45.09 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.29 -38.02 87.77 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.599 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -57.19 -52.77 63.98 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.958 0.408 . . . . 0.0 110.521 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -67.47 -36.66 81.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.06 0.457 . . . . 0.0 110.237 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.3 t -56.94 -44.44 82.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.985 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.574 ' NH2' ' CD1' ' A' ' 4' ' ' LEU . 84.3 mtt85 -63.64 -41.84 98.2 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.403 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.6 tp -50.14 -48.45 53.74 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.247 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -63.25 -44.31 95.55 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.168 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.38 -37.71 78.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.877 0.37 . . . . 0.0 110.427 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.517 ' O ' ' SD ' ' A' ' 47' ' ' MET . 39.0 mtt -61.23 -62.69 1.66 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.19 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -44.15 -44.58 7.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.556 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.3 p -69.4 -35.41 75.74 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.834 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.84 -54.17 29.89 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.153 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -65.86 -37.5 86.34 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.568 0.223 . . . . 0.0 110.784 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -54.56 -47.22 73.52 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.0 mt -72.6 -70.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.523 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' OD2' ' SG ' ' A' ' 56' ' ' CYS . 28.3 t70 -108.26 113.99 27.52 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.211 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 50' ' ' ASP . 51.1 m -56.05 -108.18 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.533 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -127.46 97.55 4.92 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.456 HG22 ' H ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -106.78 160.26 26.95 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -42.66 -50.45 5.88 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 122.296 1.998 . . . . 0.0 113.517 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.59 -61.93 1.63 Allowed 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.394 0.616 . . . . 0.0 111.066 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.462 ' SG ' ' OD2' ' A' ' 50' ' ' ASP . 61.7 m -49.28 -23.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.155 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -50.7 -58.17 6.53 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 121.211 0.529 . . . . 0.0 110.215 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.14 -41.0 91.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.581 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -59.34 -48.39 81.8 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.398 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.62 -41.91 98.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.383 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.4 t -60.67 -45.67 93.24 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.725 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -63.91 -42.5 97.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.414 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.98 -44.13 97.39 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.362 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -40.39 96.17 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.943 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -62.55 -40.93 98.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.614 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.455 ' NE2' ' CD1' ' A' ' 7' ' ' LEU . 55.3 mt-30 -60.25 -44.9 94.86 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.36 -43.93 97.66 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.377 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -36.56 83.59 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.42 -49.69 66.79 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.216 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.41 -41.65 98.72 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.901 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -59.62 -47.46 85.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.195 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -69.38 -32.51 71.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.309 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -58.15 -55.94 28.44 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.5 mt -78.02 -42.43 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.77 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.6 -99.8 2.01 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -96.49 89.1 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.693 0.282 . . . . 0.0 110.767 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -126.61 127.38 45.15 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.449 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -50.87 -39.3 53.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.296 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.1 -36.2 74.74 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.728 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.4 mm -89.17 -48.66 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.486 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.576 ' HG1' ' N ' ' A' ' 82' ' ' GLN . 61.2 p -65.14 -43.06 93.12 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.687 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.576 ' N ' ' HG1' ' A' ' 81' ' ' THR . 60.9 mt-30 -104.58 115.35 30.19 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.329 0.585 . . . . 0.0 110.712 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.4 ' C ' ' OE1' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -67.98 -37.12 81.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.652 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 pt -56.69 -42.21 76.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.4 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.04 -46.58 93.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 0.0 110.098 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.36 -36.05 92.89 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 49.9 t -65.49 -44.1 88.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.723 0.296 . . . . 0.0 110.772 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.69 95.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.745 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -64.59 -45.6 86.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.64 -44.25 96.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.403 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -63.06 -42.51 99.72 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -63.88 -38.79 92.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.644 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -49.77 76.46 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.682 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.37 -36.72 78.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -62.63 -44.45 96.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.383 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -62.58 -46.84 86.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.904 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 70.6 mtm -66.32 -39.82 89.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.6 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.645 ' CG ' ' NE2' ' A' ' 141' ' ' HIS . 63.3 t80 -59.89 -45.03 93.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.649 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.9 mt -62.77 -40.34 97.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.687 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.24 -46.83 82.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.308 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.38 96.73 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.869 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.35 -43.5 98.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.89 0.376 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -63.5 -40.61 97.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.39 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -60.82 -42.74 98.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.191 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -59.5 -43.0 93.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.057 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -38.76 92.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.349 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.79 -26.11 68.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.348 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.53 ' O ' ' CE2' ' A' ' 110' ' ' PHE . . . 97.38 -7.49 63.93 Favored Glycine 0 N--CA 1.465 0.585 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -84.17 134.55 34.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' A' ' 108' ' ' GLY . 13.5 m-85 -123.89 133.76 53.68 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -148.12 173.5 12.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.344 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -64.18 -18.41 64.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.371 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -63.19 -36.87 85.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.801 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.476 ' O ' ' CD2' ' A' ' 118' ' ' PHE . 61.5 mtp -56.41 -50.35 71.87 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.068 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.7 mm -65.06 -43.68 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.388 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -62.55 -40.66 97.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.346 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.601 ' HG ' ' N ' ' A' ' 118' ' ' PHE . 82.7 p -59.67 -48.01 83.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.662 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.601 ' N ' ' HG ' ' A' ' 117' ' ' SER . 52.7 m-85 -66.72 -43.93 82.96 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.679 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -61.71 -48.36 81.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.129 0.49 . . . . 0.0 110.284 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 97.9 m -63.96 -43.73 94.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.56 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.28 -43.77 71.34 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.07 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.2 t -62.17 -42.17 99.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.661 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.8 mp -59.52 -47.44 85.53 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.591 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.07 -40.46 97.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.397 0.617 . . . . 0.0 110.216 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.401 HD12 HG21 ' A' ' 125' ' ' ILE . 53.1 mt -58.88 -43.51 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 C-N-CA 120.346 -0.542 . . . . 0.0 109.541 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -59.0 -42.63 90.54 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 121.547 0.689 . . . . 0.0 109.926 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.66 -31.51 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.599 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 82.5 mt -72.19 -38.24 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.908 0.385 . . . . 0.0 110.924 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.407 ' HG1' ' N ' ' A' ' 130' ' ' VAL . 30.4 p -60.03 -29.61 68.63 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.101 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.407 ' N ' ' HG1' ' A' ' 129' ' ' THR . 2.8 m -52.88 -27.07 12.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.925 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -68.39 -12.97 61.94 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.601 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.92 12.81 84.05 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -124.59 86.0 2.5 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.4 mt -97.08 138.06 35.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.073 0.463 . . . . 0.0 110.957 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.465 ' HG1' ' H ' ' A' ' 137' ' ' GLU . 0.2 OUTLIER -103.28 162.28 13.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.336 178.172 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.59 -36.83 81.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.349 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.465 ' H ' ' HG1' ' A' ' 135' ' ' THR . 12.2 mp0 -61.59 -47.27 86.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.34 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.4 ' H ' HG22 ' A' ' 135' ' ' THR . 9.1 m-20 -61.64 -46.86 87.95 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.444 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.59 -47.93 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.398 0.618 . . . . 0.0 109.723 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -63.92 -42.22 97.45 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.568 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.645 ' NE2' ' CG ' ' A' ' 98' ' ' PHE . 62.9 t-80 -61.54 -43.7 98.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.022 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.611 HH21 ' NZ ' ' A' ' 143' ' ' LYS . 56.2 ttp180 -59.41 -45.22 92.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.592 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.611 ' NZ ' HH21 ' A' ' 142' ' ' ARG . 41.3 mmtm -63.11 -42.5 99.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.695 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -60.28 -47.76 84.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.343 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.4 87.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.212 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -54.44 45.64 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.754 0.312 . . . . 0.0 111.296 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . 0.411 ' CD1' ' N ' ' A' ' 147' ' ' TRP . 20.0 m0 -66.75 -39.8 88.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.907 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.75 -44.23 96.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.645 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.89 75.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.759 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 97.5 m -64.3 -43.9 93.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.537 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -58.55 -51.07 71.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.739 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.87 -43.17 93.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.454 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -56.39 -49.22 75.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.985 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.428 ' N ' HD21 ' A' ' 154' ' ' ASN . 0.9 OUTLIER -65.02 -39.3 93.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.496 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 160' ' ' GLU . 45.1 t -56.99 -51.9 67.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.034 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.84 -36.09 82.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.456 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -55.19 -41.66 72.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.581 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -89.99 6.53 41.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.506 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.13 43.51 93.07 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.423 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 8.8 mm-40 -112.7 153.99 26.84 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.756 0.313 . . . . 0.0 110.448 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 18.3 m -88.36 118.9 69.99 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.515 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.31 165.99 29.74 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 121.894 1.729 . . . . 0.0 112.469 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.455 179.643 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.2 mmm . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.87 149.82 43.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.554 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -133.06 134.12 43.92 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.867 0.365 . . . . 0.0 110.399 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.9 mt -93.26 160.72 14.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.649 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.63 146.8 85.07 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.691 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -71.46 152.17 60.01 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.396 2.064 . . . . 0.0 111.496 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.4 mt -112.98 146.55 35.35 Favored Pre-proline 0 N--CA 1.469 0.502 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -70.77 167.28 26.21 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.055 1.837 . . . . 0.0 112.027 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -44.96 133.4 10.92 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.162 1.908 . . . . 0.0 111.695 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tt -71.98 116.73 51.43 Favored Pre-proline 0 CA--C 1.544 0.726 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.574 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -58.18 150.55 65.19 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.03 1.82 . . . . 0.0 112.195 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.27 -22.45 61.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.578 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -60.53 -38.92 86.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -95.6 21.47 8.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.227 0.537 . . . . 0.0 110.71 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -62.12 -33.64 74.85 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.86 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 t -64.96 -46.52 81.17 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.359 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.3 pt -90.08 18.15 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.84 -44.83 93.88 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.372 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.445 ' O ' ' OG1' ' A' ' 23' ' ' THR . 83.5 m-70 -66.85 -38.98 87.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.007 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -54.4 -64.81 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.358 . . . . 0.0 111.593 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -41.04 97.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.283 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -57.63 -43.1 84.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 19' ' ' HIS . 19.6 m -61.03 -43.14 99.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.028 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.23 91.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.591 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.451 HE21 ' NH2' ' A' ' 39' ' ' ARG . 78.7 mm-40 -57.07 -46.2 82.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.936 0.398 . . . . 0.0 110.398 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -70.17 -45.19 67.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.434 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -67.81 -17.75 64.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.259 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -50.46 -27.25 6.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.355 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -97.31 -48.29 5.38 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.324 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -65.92 -43.7 87.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.734 0.302 . . . . 0.0 110.919 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -148.82 87.02 5.58 Favored Pre-proline 0 C--O 1.238 0.448 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.683 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.63 -35.87 79.12 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.727 2.285 . . . . 0.0 112.174 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.81 -45.38 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.528 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.61 -44.4 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.731 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.72 84.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -51.39 -56.96 10.34 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.671 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -63.32 -46.99 84.09 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.125 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.5 t -56.75 -38.45 72.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.406 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.607 HH11 ' CD1' ' A' ' 63' ' ' LEU . 3.6 mmt180 -63.69 -41.03 98.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.439 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.57 -44.57 89.8 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.399 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -60.97 -48.83 79.98 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.615 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.08 94.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.95 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.6 mtp -62.54 -44.25 96.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -55.61 -47.63 76.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.518 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.0 m -63.38 -43.18 98.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.55 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.03 -57.89 11.9 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.429 -0.669 . . . . 0.0 111.429 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 21.7 ptp -62.51 -34.17 76.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.439 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -60.64 -48.89 79.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 86.3 mt -65.58 -48.79 81.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.859 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 21.0 p30 -146.72 123.07 10.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.466 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 p -49.34 -98.18 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.726 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.71 108.07 4.26 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -89.36 163.98 31.7 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.53 -47.97 18.82 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.12 1.88 . . . . 0.0 113.347 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -78.85 -63.54 1.39 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.07 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.412 ' H ' HG23 ' A' ' 53' ' ' THR . 9.1 t -43.2 -24.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.796 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -42.6 -42.6 3.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.75 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -64.08 -41.84 97.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.692 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -59.47 -52.07 67.18 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.493 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.84 -42.65 94.74 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.475 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.8 t -59.74 -55.0 39.82 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.257 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -66.07 -39.44 90.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.154 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.607 ' CD1' HH11 ' A' ' 39' ' ' ARG . 45.8 tp -60.82 -43.05 98.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.09 0.471 . . . . 0.0 110.47 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.1 mmt -64.05 -38.71 92.06 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.054 0.454 . . . . 0.0 110.162 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.22 -34.9 77.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.649 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.15 -36.68 82.36 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.496 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -57.62 11.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.177 0.513 . . . . 0.0 111.102 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -62.24 -31.11 71.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.877 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.58 79.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.475 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.0 mt -63.43 -42.12 98.7 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.303 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.22 -47.4 84.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.396 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -67.4 -33.79 75.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.661 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.0 -53.96 52.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.754 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.09 -44.22 66.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.641 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.29 -100.97 1.44 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -92.12 88.47 6.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.824 0.345 . . . . 0.0 111.212 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -124.11 131.58 53.56 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.15 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.33 -39.62 95.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.114 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.59 -24.51 66.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mm -90.5 -40.04 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.714 0.292 . . . . 0.0 110.628 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.1 p -76.99 -54.87 6.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.972 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -83.2 121.33 26.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 111.066 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.508 ' H ' ' CD ' ' A' ' 83' ' ' GLU . 2.0 pm0 -72.14 -38.62 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.944 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.411 HG13 ' H ' ' A' ' 85' ' ' VAL . 2.5 pt -60.58 -43.64 95.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.55 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.411 ' H ' HG13 ' A' ' 84' ' ' ILE . 94.8 t -65.06 -44.74 95.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.35 -39.56 97.92 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.294 -1.123 . . . . 0.0 110.294 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 83' ' ' GLU . 97.6 m -62.46 -38.79 91.16 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.301 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.54 -40.04 95.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.745 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.467 ' NE2' ' CE1' ' A' ' 93' ' ' TYR . 28.2 t60 -61.0 -46.08 92.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.627 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.59 -43.07 98.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.41 ' OE2' ' CD2' ' A' ' 95' ' ' LEU . 2.5 tm-20 -65.64 -38.47 89.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.954 0.407 . . . . 0.0 109.91 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -62.88 -39.79 95.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.424 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.467 ' CE1' ' NE2' ' A' ' 89' ' ' HIS . 2.0 m-85 -61.52 -44.55 96.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.729 0.299 . . . . 0.0 110.475 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.67 -46.67 83.96 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.342 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.41 ' CD2' ' OE2' ' A' ' 91' ' ' GLU . 3.7 mm? -64.0 -40.15 95.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.078 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -56.65 -49.09 76.05 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.493 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 66.3 mtm -68.22 -36.42 79.49 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.542 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.447 ' CD2' ' ND1' ' A' ' 141' ' ' HIS . 37.9 t80 -58.78 -49.54 77.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.3 mt -66.64 -40.03 88.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -58.14 -47.28 83.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.516 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.78 91.78 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.077 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -59.85 -43.34 94.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.793 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -62.99 -42.54 99.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.509 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.37 -38.97 88.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.575 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -62.49 -46.48 88.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.746 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -28.51 69.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.79 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.9 -11.32 46.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.4 -14.58 60.74 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -76.86 135.81 38.86 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -129.49 131.81 46.76 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.472 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -151.44 -178.17 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.422 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -81.09 -18.86 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.542 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -64.34 -42.42 96.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.435 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 115' ' ' ILE . 11.8 ptm -61.63 -41.2 97.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.974 0.416 . . . . 0.0 110.923 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.428 ' N ' ' CG ' ' A' ' 114' ' ' MET . 95.8 mt -63.37 -43.58 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.919 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -62.82 -37.19 85.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.047 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.1 m -58.57 -45.69 88.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.176 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -64.53 -43.48 93.89 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.964 0.411 . . . . 0.0 110.331 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -61.34 -43.51 98.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.864 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.9 m -61.67 -42.84 99.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.111 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -53.0 -50.13 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.118 0.485 . . . . 0.0 110.093 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m -59.31 -34.16 71.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.332 0.587 . . . . 0.0 109.959 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.36 -40.0 94.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.234 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -40.07 92.44 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.64 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 37.5 mm -58.04 -45.69 88.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.64 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.474 ' O ' ' OG1' ' A' ' 129' ' ' THR . 97.8 m-20 -55.25 -48.82 73.4 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-O 121.453 0.644 . . . . 0.0 110.517 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 47.7 t -58.32 -28.37 35.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.949 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.9 mt -83.4 -32.74 9.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.757 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 38.5 p -60.4 -25.89 66.25 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.18 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.9 m -52.8 -34.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.305 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -67.96 -38.49 82.83 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.88 0.372 . . . . 0.0 111.115 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 103.24 -11.97 55.11 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -91.69 104.45 16.91 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 122.752 -0.263 . . . . 0.0 110.543 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.82 119.13 27.06 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.389 0.614 . . . . 0.0 110.274 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.2 t -92.47 165.96 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.813 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.78 -41.16 94.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.983 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -56.66 -48.08 78.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.366 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -61.22 -40.66 94.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.976 0.417 . . . . 0.0 110.488 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.37 -40.92 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.242 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -58.14 -43.49 87.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.543 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.447 ' ND1' ' CD2' ' A' ' 98' ' ' PHE . 18.1 m-70 -62.96 -43.57 98.42 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 44.5 ttp85 -60.54 -48.02 83.59 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.016 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -67.44 -44.55 78.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.853 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 144' ' ' TYR . 29.7 t80 -60.21 -45.46 93.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.335 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.36 77.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.997 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -64.14 -38.23 90.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -68.39 -54.82 14.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.679 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -67.34 -38.46 84.89 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.916 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.64 -51.25 70.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.838 0.351 . . . . 0.0 110.363 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.1 m -65.26 -41.55 94.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.509 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.462 ' CE1' ' SG ' ' A' ' 155' ' ' CYS . 33.1 t80 -56.72 -47.86 79.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.13 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.401 HG22 HD12 ' A' ' 152' ' ' ILE . 86.6 mt -64.38 -43.97 97.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.523 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -58.73 -49.6 77.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.021 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -62.67 -43.94 97.52 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.935 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . 0.462 ' SG ' ' CE1' ' A' ' 151' ' ' TYR . 84.8 m -65.22 -50.64 65.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.24 -35.37 80.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.838 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -57.39 -42.0 81.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.267 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -82.59 8.1 12.8 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.461 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 69.13 24.08 76.01 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -105.73 143.02 34.47 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 110.482 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 96.9 m -79.46 118.38 72.13 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.376 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -68.83 159.36 54.12 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 121.387 1.391 . . . . 0.0 112.735 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.175 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 ptp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.79 151.78 29.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.52 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.17 148.11 27.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.258 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mt -85.75 149.98 24.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.192 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.01 161.46 24.76 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -51.98 158.68 4.58 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 122.344 2.029 . . . . 0.0 111.808 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.2 mt -111.65 155.74 42.56 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.4 163.99 7.68 Favored 'Trans proline' 0 N--CA 1.507 2.293 0 C-N-CA 122.272 1.982 . . . . 0.0 111.654 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.06 127.48 19.64 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.482 2.121 . . . . 0.0 111.898 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.5 tp -47.78 111.6 1.78 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.8 146.63 65.87 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 121.473 1.449 . . . . 0.0 111.732 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.31 93.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.005 0.431 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.523 ' H ' ' CD ' ' A' ' 13' ' ' GLN . 5.3 pm0 -66.56 -31.82 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.451 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -85.9 15.63 4.76 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.456 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -57.53 -31.85 66.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.841 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.6 m -59.79 -42.23 92.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.237 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.5 pt -92.74 18.04 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.111 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -54.96 -56.33 20.86 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 120.828 0.347 . . . . 0.0 110.517 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -68.82 -28.72 67.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.362 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -58.72 -63.86 1.14 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.181 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.85 -39.38 94.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.872 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -59.49 -43.62 93.28 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.498 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.3 m -61.44 -41.97 98.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.028 0.442 . . . . 0.0 110.096 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.5 -38.21 90.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.779 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -51.59 69.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.266 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.69 -37.54 86.76 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.329 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -65.04 -31.86 73.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.13 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -47.3 -32.52 4.78 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.421 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -80.27 -49.7 11.22 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.842 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -68.77 -41.75 78.39 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.302 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -154.46 121.53 2.84 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -75.15 -30.78 6.6 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 121.969 1.779 . . . . 0.0 112.637 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.4 t -62.4 -44.85 99.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.799 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.4 t -60.83 -45.12 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.075 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.77 85.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -53.17 -58.3 7.53 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.942 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -63.31 -46.0 88.75 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.065 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.7 t -58.07 -42.83 86.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.084 0.468 . . . . 0.0 110.207 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.7 ttm-85 -61.42 -41.48 97.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.43 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.2 tp -55.39 -44.34 76.04 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.022 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 35.2 t80 -60.0 -48.25 82.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.415 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.59 83.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.938 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.6 mtp -63.09 -64.29 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.655 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -59.53 -39.9 85.45 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.33 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.9 m -61.48 -52.08 66.02 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.81 -35.71 91.25 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 18.5 ttp -63.28 -41.13 98.96 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 120.857 0.361 . . . . 0.0 110.499 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.5 -40.44 91.36 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.357 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.3 mm -41.49 -87.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.821 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -100.63 -115.48 0.17 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.645 0.26 . . . . 0.0 110.443 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.3 m -155.67 -117.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.892 0.377 . . . . 0.0 110.152 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -137.96 96.85 3.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.141 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -106.81 154.46 40.15 Favored Pre-proline 0 N--CA 1.468 0.472 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.047 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -34.18 -30.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.818 2.345 . . . . 0.0 112.247 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' THR . 1.5 tm-20 -84.9 -60.92 1.91 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.446 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.1 t -62.73 -24.23 67.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -42.58 -54.23 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.233 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -64.58 -39.16 93.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.47 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -59.17 -54.69 44.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.506 ' O ' ' SD ' ' A' ' 64' ' ' MET . 80.4 mt -68.34 -43.09 78.24 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.475 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.1 t -61.54 -50.4 72.83 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.064 0.459 . . . . 0.0 111.209 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -65.3 -42.97 92.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.83 -38.83 92.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.307 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -59.93 -44.01 94.6 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.885 0.374 . . . . 0.0 110.61 178.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.43 -38.76 90.97 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.544 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.02 -45.31 87.13 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.842 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.12 -42.35 98.37 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.285 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -61.73 -37.84 85.7 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.08 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.18 80.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.687 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.3 mt -62.98 -41.96 99.71 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.306 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -61.84 -49.25 77.01 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.389 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -66.1 -40.7 90.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.095 0.474 . . . . 0.0 110.544 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -54.0 -53.75 48.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.522 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -71.86 -43.36 65.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.997 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.76 -94.94 0.14 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 28.5 p-10 -90.04 84.06 6.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.84 0.353 . . . . 0.0 111.422 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -122.77 136.29 54.82 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.238 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 82' ' ' GLN . 84.4 mt-10 -63.72 -43.98 94.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.739 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.56 95.15 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.838 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.6 mm -70.74 -43.69 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.794 0.331 . . . . 0.0 110.79 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 59.0 p -81.36 -63.58 1.37 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.75 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 78' ' ' GLU . 62.4 mt-30 -76.18 117.26 17.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.023 0.44 . . . . 0.0 110.176 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.509 ' H ' ' CD ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -68.22 -40.7 82.03 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.645 -179.505 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.7 pt -56.19 -42.85 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.469 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.61 -44.74 93.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.82 0.343 . . . . 0.0 110.505 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.53 -42.83 99.66 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.62 -40.78 84.64 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.67 84.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.331 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -61.9 -50.65 71.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.638 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.74 -42.96 97.79 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.449 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -56.65 -46.33 81.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.932 0.396 . . . . 0.0 110.489 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.91 -39.08 87.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.321 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -47.34 86.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.63 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.93 89.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.16 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.96 -43.83 98.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.469 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.88 -48.17 83.04 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.344 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 69.4 mtm -69.63 -40.09 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.196 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -60.88 -46.52 90.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.678 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.3 -38.17 89.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.416 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -56.66 -49.45 75.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.92 73.54 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.417 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -58.1 -41.61 83.88 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.352 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -62.55 -41.68 99.05 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.687 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -68.28 -35.05 77.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.029 0.442 . . . . 0.0 110.281 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.34 -49.42 77.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.558 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -67.52 -26.8 66.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.567 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.95 -22.21 66.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.64 30.71 11.25 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -132.49 140.68 48.46 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.79 0.328 . . . . 0.0 110.525 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -123.77 135.36 53.77 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.453 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -146.83 158.47 43.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.203 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -61.52 -26.28 67.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.402 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -61.01 -33.99 74.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.376 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 88.9 mtp -61.47 -44.84 96.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.809 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.404 HD12 HG21 ' A' ' 115' ' ' ILE . 91.6 mt -66.77 -44.58 89.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.938 0.399 . . . . 0.0 110.441 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -64.27 -40.8 96.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.276 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.4 t -61.56 -44.82 96.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.301 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -64.96 -42.36 94.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.802 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -60.98 -45.63 94.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.164 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.2 m -62.08 -43.06 99.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.821 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.74 -49.91 71.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.682 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.5 t -58.6 -40.27 82.77 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.113 0.482 . . . . 0.0 111.097 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.95 -40.86 90.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.293 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.7 tp -62.37 -40.8 97.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.626 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.5 mm -53.71 -46.85 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.078 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.443 ' O ' ' OG1' ' A' ' 129' ' ' THR . 92.5 m-20 -55.75 -46.03 77.92 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.261 0.553 . . . . 0.0 109.817 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 63.5 t -59.49 -26.71 35.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.372 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 98.6 mt -83.05 -29.99 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 120.951 0.405 . . . . 0.0 110.498 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 73.1 p -65.85 -30.42 71.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.747 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.0 m -52.82 -22.76 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.828 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -63.14 -29.87 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.57 -15.57 55.74 Favored Glycine 0 N--CA 1.465 0.604 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -116.18 122.81 46.15 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.6 mt -120.31 145.22 47.32 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.051 0.453 . . . . 0.0 110.289 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.425 ' HG1' ' N ' ' A' ' 136' ' ' ASP . 1.2 t -104.08 160.55 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.537 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.425 ' N ' ' HG1' ' A' ' 135' ' ' THR . 68.4 m-20 -61.59 -41.9 98.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.525 ' O ' ' ND1' ' A' ' 141' ' ' HIS . 93.4 mt-10 -55.42 -49.9 71.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.95 -40.85 95.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 43.6 t -60.93 -47.02 95.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 120.965 0.412 . . . . 0.0 110.002 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -64.77 -44.05 91.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.804 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 137' ' ' GLU . 2.3 m80 -59.7 -38.19 80.92 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -61.54 -54.71 39.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.992 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -67.29 -42.28 84.04 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.928 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.463 ' OH ' ' NZ ' ' A' ' 148' ' ' LYS . 90.7 t80 -60.45 -44.71 95.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.42 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.573 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -49.69 75.89 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 111.104 -179.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -72.23 -45.09 61.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.053 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.463 ' NZ ' ' OH ' ' A' ' 144' ' ' TYR . 17.5 tptm -59.18 -45.97 89.64 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.03 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.35 -53.16 60.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 0.0 111.082 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.6 m -64.23 -41.65 96.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.509 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 80.9 t80 -57.75 -47.71 81.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.855 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.77 -43.09 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.96 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -49.0 77.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.696 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -65.7 -39.78 91.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.694 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 89.8 m -59.24 -48.1 82.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.202 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.57 -40.63 97.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.394 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -58.62 -45.33 89.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.974 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -74.83 -15.71 60.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.814 0.34 . . . . 0.0 110.777 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 89.48 12.4 62.92 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -88.11 143.75 26.89 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.158 0.504 . . . . 0.0 110.285 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.6 p -79.75 116.48 61.29 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.748 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -52.34 152.9 14.41 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.865 1.71 . . . . 0.0 112.505 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.214 179.578 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.54 153.83 3.65 Favored Pre-proline 0 N--CA 1.445 -0.716 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.655 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.449 ' C ' HD22 ' A' ' 7' ' ' LEU . 34.8 Cg_exo -59.62 147.57 91.28 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 123.041 2.494 . . . . 0.0 112.244 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.849 HD22 ' N ' ' A' ' 7' ' ' LEU . 2.2 mm? -98.35 141.45 22.97 Favored Pre-proline 0 N--CA 1.449 -0.521 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.145 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.8 173.35 0.55 Allowed 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.541 2.16 . . . . 0.0 112.118 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -53.85 135.91 64.38 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.665 2.243 . . . . 0.0 112.177 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tt -92.76 111.83 52.95 Favored Pre-proline 0 N--CA 1.444 -0.739 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.92 164.54 35.29 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.706 2.27 . . . . 0.0 112.146 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.65 -20.33 63.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -60.25 -40.34 89.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.976 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.46 ' CZ ' ' OD2' ' A' ' 50' ' ' ASP . 48.5 m-85 -99.12 18.59 17.03 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.109 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -65.83 -30.47 71.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.999 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 t -66.85 -34.17 77.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.631 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.0 pt -100.86 2.83 10.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.722 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -54.55 -41.08 69.33 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.637 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -63.64 -34.1 77.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.901 0.382 . . . . 0.0 110.561 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.414 ' CD2' ' CE2' ' A' ' 41' ' ' TYR . 76.1 m80 -66.51 -63.82 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.323 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 22' ' ' ARG . 3.2 pp -58.29 -33.77 69.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.338 -179.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.557 ' N ' HD12 ' A' ' 21' ' ' LEU . 65.1 ttt-85 -60.7 -47.53 85.84 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.357 0.599 . . . . 0.0 110.27 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.404 HG22 ' HD1' ' A' ' 27' ' ' HIS . 6.5 m -63.5 -38.11 89.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.019 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.56 81.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.456 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.477 ' CD ' HH22 ' A' ' 39' ' ' ARG . 9.0 mm100 -57.59 -36.69 72.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.115 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -69.93 -42.91 72.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.07 0.462 . . . . 0.0 110.736 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 30' ' ' ARG . 16.2 m80 -65.04 -32.86 74.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.618 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -42.59 -31.33 0.44 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.557 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -87.73 -28.09 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.677 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' HIS . 23.7 ttm180 -88.44 -52.8 4.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' HIS . 19.9 m-20 -151.98 126.1 4.45 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.762 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.55 -26.71 11.6 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.535 2.156 . . . . 0.0 112.159 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.7 -47.38 91.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.006 0.432 . . . . 0.0 110.768 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.6 t -60.67 -43.89 95.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.369 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.16 82.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.441 ' CD2' HD11 ' A' ' 67' ' ' LEU . 37.4 t80 -50.79 -53.59 30.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.37 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -64.46 -40.3 95.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.733 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.25 -48.04 83.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.477 HH22 ' CD ' ' A' ' 25' ' ' GLN . 79.1 mtt-85 -61.24 -34.8 75.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.485 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.16 -44.12 95.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.041 0.448 . . . . 0.0 110.512 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CE2' ' CD2' ' A' ' 20' ' ' HIS . 61.7 t80 -62.53 -43.98 97.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.671 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.05 94.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.6 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.573 ' SD ' ' SD ' ' A' ' 64' ' ' MET . 7.4 mtt -61.42 -47.16 87.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.038 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -55.95 -55.79 28.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.649 0.593 . . . . 0.0 110.691 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -64.08 -26.1 68.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.9 0.381 . . . . 0.0 110.423 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.468 ' O ' ' OD1' ' A' ' 50' ' ' ASP . . . -67.82 -54.56 17.75 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 20.1 ptp -60.99 -37.35 82.18 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.606 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -61.99 -44.82 95.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.722 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.9 mt -66.81 -45.53 87.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.494 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.468 ' OD1' ' O ' ' A' ' 46' ' ' GLY . 1.1 p30 -145.03 102.37 3.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.215 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.1 m -48.89 -91.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.551 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.586 ' HZ2' ' HB2' ' A' ' 52' ' ' LYS . 7.2 mtmp? -132.25 98.15 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.412 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.2 m -104.21 129.68 24.71 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -40.72 -30.99 0.6 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.62 2.213 . . . . 0.0 112.316 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -85.46 -60.22 2.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.555 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 57.7 m -61.37 -26.6 67.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.45 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -42.94 -39.38 2.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.565 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 58' ' ' LYS . 5.0 mptp? -63.28 -45.27 92.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.675 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -63.76 -43.21 97.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.326 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.541 ' O ' ' SD ' ' A' ' 64' ' ' MET . 63.2 mt -63.03 -46.0 89.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.349 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 p -58.99 -44.66 91.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.489 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -66.57 -46.77 74.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.904 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.28 -43.75 98.37 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.281 0.562 . . . . 0.0 110.915 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.573 ' SD ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -60.12 -41.34 92.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.19 179.753 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.72 -39.08 90.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.255 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -53.29 -48.1 68.64 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.516 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.441 HD11 ' CD2' ' A' ' 36' ' ' TYR . 21.1 tp -62.61 -42.02 99.34 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.184 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.3 -38.27 88.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.945 0.402 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.73 -46.03 91.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.648 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.06 -39.57 90.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -58.28 -48.75 79.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.496 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -73.94 -31.17 62.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.612 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -56.54 -43.95 80.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.59 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 mt -86.82 -47.23 9.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.696 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.58 -97.51 1.83 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -91.86 89.15 6.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.459 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -128.5 130.47 47.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.676 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -63.39 -38.93 93.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.603 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.1 -38.77 83.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.927 0.394 . . . . 0.0 110.585 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.7 mm -80.73 -49.24 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.8 p -67.6 -48.1 67.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -97.67 115.12 27.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.366 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.496 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 18.3 pt-20 -70.63 -36.62 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.844 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pt -57.81 -44.61 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.453 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.82 -45.24 99.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.104 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.87 -35.23 91.74 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.565 ' SG ' ' CZ ' ' A' ' 131' ' ' PHE . 70.7 m -63.92 -47.36 80.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.85 0.357 . . . . 0.0 110.592 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.05 85.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.473 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -62.67 -45.74 91.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.498 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.58 -44.67 95.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.739 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -58.26 -42.08 85.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.314 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -62.81 -39.61 94.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.447 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.32 -45.55 91.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.658 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.457 ' HB2' HD23 ' A' ' 124' ' ' LEU . . . -63.54 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.364 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 95' ' ' LEU . 1.9 mm? -63.1 -42.3 99.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.665 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -58.94 -47.18 85.98 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.595 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 77.0 mtm -67.87 -36.79 80.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.602 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -61.39 -47.88 83.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.163 0.506 . . . . 0.0 110.401 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.04 -42.02 97.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.474 ' CE2' ' OE1' ' A' ' 104' ' ' GLU . 78.9 t80 -53.97 -46.78 71.76 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.265 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.464 ' O ' ' SD ' ' A' ' 114' ' ' MET . . . -62.13 -45.14 94.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.734 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -62.57 -37.14 85.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.172 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.69 -41.33 97.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.424 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.474 ' OE1' ' CE2' ' A' ' 100' ' ' TYR . 45.1 mt-10 -65.36 -37.12 86.09 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.655 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.2 -44.16 96.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.615 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -62.08 -35.34 78.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.03 -13.5 58.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.533 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.1 26.93 57.06 Favored Glycine 0 CA--C 1.518 0.243 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -133.72 138.61 45.91 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.796 0.331 . . . . 0.0 110.256 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -124.17 136.88 54.5 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.973 0.415 . . . . 0.0 110.226 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -138.73 164.92 28.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.459 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -58.96 -19.12 40.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.544 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -66.02 -37.59 86.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.603 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.489 ' O ' ' OG ' ' A' ' 117' ' ' SER . 5.7 tpp -58.46 -46.76 85.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.615 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 62.7 mt -64.02 -44.41 97.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.33 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.94 -40.16 96.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' A' ' 114' ' ' MET . 62.8 p -62.14 -46.25 89.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.638 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -62.66 -42.27 99.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -62.58 -42.42 99.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.252 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 92.1 m -62.45 -42.66 99.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.277 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.7 89.29 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.383 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.0 t -58.26 -40.72 82.56 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.444 0.64 . . . . 0.0 110.262 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.29 -43.22 92.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.482 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' A' ' 94' ' ' ALA . 7.3 tp -62.44 -39.69 94.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.278 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 129' ' ' THR . 39.9 mm -54.06 -46.18 65.94 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.078 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.49 ' O ' ' OG1' ' A' ' 129' ' ' THR . 12.4 m-20 -57.71 -47.97 80.89 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.845 0.831 . . . . 0.0 110.343 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.635 ' O ' HG22 ' A' ' 130' ' ' VAL . 43.8 t -54.1 -27.28 16.2 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.085 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 97.8 mt -83.4 -33.82 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.25 0.548 . . . . 0.0 110.361 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 75.7 p -62.05 -23.71 66.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.916 0.389 . . . . 0.0 110.475 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 127' ' ' VAL . 10.2 m -53.86 -33.15 23.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.53 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.565 ' CZ ' ' SG ' ' A' ' 87' ' ' CYS . 57.9 m-85 -63.41 -6.01 4.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.49 2.05 78.61 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -126.07 138.57 53.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 134' ' ' LEU . 6.4 mt -127.23 140.83 51.96 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.968 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 10.6 p -90.14 160.96 15.99 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.36 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.9 -41.93 98.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.066 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -69.06 -38.11 78.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.599 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -59.28 -48.39 81.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.452 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.11 -44.29 95.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.342 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -62.9 -43.03 99.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.693 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.93 -42.08 93.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -57.09 -51.34 69.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.308 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -63.48 -43.31 97.64 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.418 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -60.56 -46.48 90.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.249 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.59 95.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.686 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -60.77 -45.1 95.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.481 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -68.64 -50.85 48.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.609 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -59.09 -45.57 90.52 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.924 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.16 78.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.341 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 25.3 m -70.09 -45.04 67.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -57.73 -48.69 78.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.472 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.5 -44.13 99.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.448 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -64.27 -44.1 92.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.396 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -64.37 -41.29 96.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.783 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 5.5 m -59.09 -47.77 84.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.428 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.76 -41.02 98.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.8 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -62.0 -39.26 91.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.511 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -80.24 -5.32 55.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.529 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 76.04 32.86 51.71 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -114.65 139.2 49.84 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.963 0.411 . . . . 0.0 110.498 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.88 118.76 71.02 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.58 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.75 151.17 15.58 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.611 2.207 . . . . 0.0 112.27 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' GLN . . . . . 0.522 ' O ' ' NE2' ' A' ' 163' ' ' GLN . 1.7 pm0 . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.485 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.502 ' CD1' HH22 ' A' ' 39' ' ' ARG . 4.9 mt . . . . . 0 CA--C 1.517 -0.311 0 CA-C-O 120.916 0.389 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.32 148.28 80.44 Favored Pre-proline 0 CA--C 1.537 0.478 0 C-N-CA 120.244 -0.583 . . . . 0.0 110.487 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.05 138.48 21.79 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.509 2.139 . . . . 0.0 112.577 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.425 HD11 ' CD ' ' A' ' 66' ' ' GLN . 6.2 mp -89.35 156.15 48.52 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.474 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -69.42 163.0 39.66 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.157 1.904 . . . . 0.0 112.101 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -50.28 128.14 22.0 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.427 2.085 . . . . 0.0 112.042 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.455 ' CD1' HD21 ' A' ' 21' ' ' LEU . 1.7 tt -78.41 116.63 60.76 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.91 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.39 157.95 48.82 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.39 2.06 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 -34.67 72.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.655 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -54.96 -18.92 5.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.512 ' HD2' HD11 ' A' ' 17' ' ' ILE . 16.2 m-85 -115.35 21.87 13.73 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.02 0.438 . . . . 0.0 110.628 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -13.14 62.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.5 m -72.46 -16.61 61.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.706 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.512 HD11 ' HD2' ' A' ' 14' ' ' PHE . 15.6 pt -126.91 23.02 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.049 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -61.55 -45.67 93.17 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -71.29 -32.09 68.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -60.07 -64.85 0.8 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.102 0.477 . . . . 0.0 111.105 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -59.33 -38.67 80.9 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.375 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -55.89 -42.17 75.54 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 m -61.98 -45.26 94.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.148 0.499 . . . . 0.0 109.909 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.91 78.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.844 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.471 ' O ' ' OD2' ' A' ' 28' ' ' ASP . 9.4 mm-40 -61.11 -45.93 92.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.855 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' A' ' 26' ' ' GLU . 19.2 pt-20 -78.07 -27.16 48.52 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.875 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -82.27 -16.96 47.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.455 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -47.12 -41.86 18.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.159 0.504 . . . . 0.0 110.462 -179.434 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -83.62 -43.2 15.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.517 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.23 -48.24 82.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.994 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -155.64 114.56 2.23 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.942 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.88 -30.63 16.78 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.215 1.944 . . . . 0.0 112.205 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.45 -45.26 96.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.489 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.4 t -64.23 -44.33 97.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.336 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.08 86.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 31.2 t80 -60.14 -50.89 71.92 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.911 0.386 . . . . 0.0 110.783 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -66.69 -42.54 86.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.794 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.6 m -59.33 -41.98 90.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.502 HH22 ' CD1' ' A' ' 4' ' ' LEU . 95.1 mtt180 -64.69 -36.7 85.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.468 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.8 tp -59.16 -49.22 78.69 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.675 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -62.37 -44.28 96.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.055 0.455 . . . . 0.0 110.825 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.23 78.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.058 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.574 ' SD ' ' SD ' ' A' ' 64' ' ' MET . 5.4 mtm -62.76 -58.29 7.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.537 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -42.72 -48.09 5.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.964 0.411 . . . . 0.0 110.545 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.6 m -65.84 -43.86 87.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.66 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -54.76 -60.45 8.67 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 23.2 ptp -55.74 -36.36 67.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.672 0.272 . . . . 0.0 110.399 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -56.7 -37.01 70.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.076 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.7 mt -75.6 -70.0 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.0 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -115.92 107.94 15.63 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.054 0.454 . . . . 0.0 109.885 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 p -54.15 -83.51 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.358 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -135.46 97.72 3.76 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -107.76 131.44 21.73 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.055 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -38.13 -35.87 0.45 Allowed 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.152 1.901 . . . . 0.0 112.66 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -86.32 -60.17 2.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 58.1 m -57.48 -29.05 63.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.605 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -42.49 -36.04 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.246 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -63.22 -49.58 73.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.61 -49.01 79.26 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.997 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.15 -42.51 98.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.778 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.4 t -63.74 -53.57 48.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.913 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -43.96 97.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.284 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.5 tp -61.22 -43.65 98.53 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 119.901 -0.719 . . . . 0.0 110.271 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.574 ' SD ' ' SD ' ' A' ' 43' ' ' MET . 8.4 mmt -63.83 -41.19 97.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.374 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 9.9 m-20 -65.11 -28.9 69.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.007 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.425 ' CD ' HD11 ' A' ' 7' ' ' LEU . 4.9 mt-30 -69.44 -43.17 73.86 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.078 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 tp -62.76 -45.02 94.61 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.983 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 0.8 OUTLIER -64.22 -29.83 70.91 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.02 0.438 . . . . 0.0 110.171 -179.599 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.01 -41.24 91.29 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.254 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.51 -41.1 98.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.951 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 75' ' ' GLY . 36.3 ttmt -60.68 -44.62 96.29 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.928 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -67.79 -35.66 79.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -57.85 -50.94 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.669 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.8 mt -89.16 -37.26 15.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.992 0.425 . . . . 0.0 110.728 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . 66.93 -93.06 0.21 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -95.91 87.46 4.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 110.887 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -115.21 143.24 45.55 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.031 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -60.15 -40.45 89.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.405 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.67 -41.71 71.71 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.247 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mm -68.91 -43.67 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.559 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.4 p -69.85 -45.37 67.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.029 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -102.95 115.97 31.63 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.255 0.55 . . . . 0.0 110.813 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.69 -34.21 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.535 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 pt -63.53 -42.71 97.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.537 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.99 -46.66 95.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.971 0.415 . . . . 0.0 110.112 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.17 -35.61 92.31 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.34 -49.54 75.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.814 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.21 82.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.533 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -59.75 -49.62 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.51 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.99 -44.63 95.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.988 0.423 . . . . 0.0 110.403 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.24 -46.09 76.02 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.617 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -61.17 -39.31 89.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.908 0.385 . . . . 0.0 110.438 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -51.72 68.62 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.091 0.472 . . . . 0.0 110.773 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.86 -36.11 74.05 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.45 -40.67 97.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.4 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -47.45 85.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -69.41 -37.56 77.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.752 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -58.44 -48.3 81.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.956 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.65 -40.95 93.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.843 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.48 -46.12 89.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.763 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.479 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -61.87 -46.25 90.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.056 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -62.28 -44.0 97.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.038 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -62.4 -43.73 98.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.01 0.434 . . . . 0.0 110.843 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.558 ' CD ' HD21 ' A' ' 113' ' ' ASN . 75.9 tt0 -62.32 -37.98 87.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.51 -47.3 84.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.774 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -67.95 -17.67 64.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.395 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 104' ' ' GLU . . . -62.42 -22.02 65.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.437 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 97.63 1.96 58.78 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -129.25 151.86 49.45 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.734 0.302 . . . . 0.0 110.196 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.514 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 0.5 OUTLIER -132.05 144.03 50.47 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.5 -179.072 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -146.86 160.9 41.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.231 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -55.73 -23.44 29.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.558 HD21 ' CD ' ' A' ' 104' ' ' GLU . 28.3 p-10 -60.26 -39.9 88.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.726 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.472 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 30.1 ttm -61.01 -42.66 98.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.686 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.66 -44.67 98.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.49 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -63.9 -38.81 92.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.4 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.4 t -62.09 -46.99 86.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.434 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.479 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 1.1 m-85 -67.34 -41.85 84.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.523 ' CE2' HD11 ' A' ' 123' ' ' LEU . 32.1 t80 -58.37 -42.09 86.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.047 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 35.6 m -63.91 -43.62 95.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.727 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.45 -48.14 79.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 125' ' ' ILE . 16.6 m -58.98 -42.71 90.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.954 0.406 . . . . 0.0 110.431 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 119' ' ' TYR . 74.0 mt -62.26 -44.94 95.39 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.976 0.417 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.9 tp -63.17 -39.51 94.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.313 0.577 . . . . 0.0 109.987 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 129' ' ' THR . 54.5 mt -56.86 -42.22 77.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.537 ' O ' ' OG1' ' A' ' 129' ' ' THR . 87.7 m-20 -60.8 -41.94 96.62 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 122.411 1.101 . . . . 0.0 109.328 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.741 ' O ' HG22 ' A' ' 130' ' ' VAL . 57.6 t -60.05 -25.9 34.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.742 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.22 -26.63 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 121.25 0.548 . . . . 0.0 110.684 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.556 ' HA ' HD23 ' A' ' 134' ' ' LEU . 41.1 p -66.13 -31.0 71.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.57 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 127' ' ' VAL . 16.6 m -54.24 -21.83 6.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.75 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -62.42 -43.24 99.3 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.399 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.31 -22.12 14.12 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 2.8 pm0 -111.3 117.65 33.73 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 120.772 0.32 . . . . 0.0 110.168 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -135.71 126.2 26.86 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.704 -179.579 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.448 ' H ' HG22 ' A' ' 135' ' ' THR . 0.5 OUTLIER -79.83 161.87 25.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.304 179.4 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 137' ' ' GLU . 18.3 p-10 -63.39 -46.14 87.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.745 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 136' ' ' ASP . 73.4 tt0 -46.62 -56.45 6.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.271 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -58.7 -40.71 84.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.383 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.38 -42.06 94.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.948 0.404 . . . . 0.0 110.2 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -58.55 -39.2 79.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.147 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -65.16 -38.88 91.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.575 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -57.68 -57.37 13.04 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -64.84 -38.66 91.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.017 0.437 . . . . 0.0 110.434 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -59.38 -46.25 89.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.428 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.55 -40.97 93.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.086 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -53.49 -45.71 69.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.905 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -75.0 -47.19 30.35 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.048 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -60.65 -47.27 87.01 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.16 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.39 -50.67 70.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.619 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 18.2 m -65.13 -43.21 92.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -57.41 -52.35 65.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.22 -44.34 95.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.669 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' HIS . . . . . 0.506 ' CD2' ' NZ ' ' A' ' 157' ' ' LYS . 85.7 t60 -56.28 -45.95 79.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.764 0.316 . . . . 0.0 110.785 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -65.39 -37.37 86.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 66.3 m -61.31 -51.11 70.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.222 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.37 -39.67 95.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.303 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.506 ' NZ ' ' CD2' ' A' ' 153' ' ' HIS . 3.6 ttpm? -62.33 -32.03 72.75 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.8 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -86.23 -11.94 51.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 83.25 25.87 46.24 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -112.69 141.49 46.42 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.064 0.459 . . . . 0.0 110.479 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 4.5 m -78.56 129.26 74.91 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.728 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.85 168.35 23.24 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.553 2.168 . . . . 0.0 112.3 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.21 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.894 0.378 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.77 153.36 88.13 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.578 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.02 149.98 77.45 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.71 2.274 . . . . 0.0 111.871 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.424 HD11 ' NE2' ' A' ' 66' ' ' GLN . 4.8 mp -104.34 153.55 38.96 Favored Pre-proline 0 C--O 1.234 0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.059 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.77 163.84 1.19 Allowed 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.295 1.997 . . . . 0.0 112.016 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.7 135.98 49.68 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.951 2.434 . . . . 0.0 112.013 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -75.39 119.12 75.56 Favored Pre-proline 0 N--CA 1.445 -0.685 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.287 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.97 156.14 38.65 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.624 2.216 . . . . 0.0 112.005 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.16 -25.97 59.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.476 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.54 -43.26 94.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.652 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.7 m-30 -85.06 10.34 12.26 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.113 0.482 . . . . 0.0 110.763 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -59.31 -28.12 66.49 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.611 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.9 p -69.54 -14.42 62.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.25 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.9 pt -122.53 23.4 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.565 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -66.88 -54.21 24.54 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.865 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -68.34 -20.51 64.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.414 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.475 ' CD2' ' CE2' ' A' ' 41' ' ' TYR . 18.9 m80 -69.79 -65.67 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.045 0.45 . . . . 0.0 111.05 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 22' ' ' ARG . 1.5 pp -63.17 -34.72 78.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.606 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' N ' HD12 ' A' ' 21' ' ' LEU . 32.0 ttm-85 -60.42 -46.88 88.43 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.949 0.404 . . . . 0.0 110.721 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.4 m -68.47 -30.19 68.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.392 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.37 -57.06 14.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -62.36 -38.93 91.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.549 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -60.47 -51.23 70.35 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.718 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' ARG . 1.6 m80 -61.72 -37.13 83.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.682 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -42.68 -33.2 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.3 -42.64 99.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.424 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' HIS . 26.0 mmt180 -85.96 -52.29 5.81 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.993 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -135.53 120.62 13.6 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.629 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.86 -28.1 9.72 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.65 2.234 . . . . 0.0 112.084 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -62.27 -45.4 98.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.3 t -60.31 -44.77 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.103 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.69 -50.46 73.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.522 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -47.78 -58.54 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.798 0.333 . . . . 0.0 110.893 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -62.04 -46.06 90.83 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.173 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 94.3 m -57.06 -36.69 70.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.183 0.516 . . . . 0.0 110.183 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -41.91 92.2 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.363 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.3 tp -56.87 -41.64 78.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.848 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.533 ' CD1' ' OD1' ' A' ' 126' ' ' ASP . 51.7 t80 -60.73 -46.92 88.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.224 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.69 -42.81 89.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.562 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.492 ' O ' ' SD ' ' A' ' 47' ' ' MET . 30.3 mtt -53.98 -60.8 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.454 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 97.7 mt-30 -48.33 -53.17 18.39 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.41 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.6 p -62.04 -41.94 98.64 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.908 0.385 . . . . 0.0 111.271 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.72 -50.53 66.58 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 121.072 -0.585 . . . . 0.0 111.683 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -79.47 -9.56 59.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.908 0.385 . . . . 0.0 110.828 -179.543 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 64.7 tttm -70.64 -45.43 65.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.38 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 88.7 mt -57.7 -47.55 85.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.382 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 51' ' ' SER . 96.7 m-20 -126.37 -94.63 0.46 Allowed 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 2.0 m 159.46 -79.96 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.648 0.592 . . . . 0.0 110.527 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.5 pttt -136.49 94.1 2.96 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.344 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.1 m -101.97 131.84 22.27 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.933 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -41.4 -31.68 1.11 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.564 2.176 . . . . 0.0 112.273 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -84.07 -60.06 2.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.978 0.418 . . . . 0.0 110.449 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' PHE . 60.0 m -58.8 -23.03 59.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.609 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -40.52 -41.74 1.5 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.542 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -65.11 -40.8 95.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.337 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' CYS . 32.3 t80 -63.75 -46.76 83.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.452 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.517 ' O ' ' SD ' ' A' ' 64' ' ' MET . 95.5 mt -63.84 -43.67 95.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.981 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 t -59.22 -48.57 81.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.774 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -66.29 -42.82 87.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.54 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.3 tp -61.66 -43.88 98.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.337 0.589 . . . . 0.0 110.88 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -62.88 -38.25 90.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.312 179.227 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.19 -34.79 78.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.173 0.511 . . . . 0.0 110.404 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.424 ' NE2' HD11 ' A' ' 7' ' ' LEU . 58.6 mt-30 -64.98 -43.07 93.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.7 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.84 -49.55 75.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.587 0.708 . . . . 0.0 111.336 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -65.12 -30.06 70.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.063 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.12 97.12 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.029 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.37 -38.96 92.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.332 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -57.33 -50.88 71.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.404 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -66.3 -40.9 90.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.818 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -50.94 -50.05 58.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.586 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.458 HD13 HD22 ' A' ' 77' ' ' ASN . 15.6 mt -76.48 -46.38 27.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.26 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.13 -90.55 1.21 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -100.49 92.43 5.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.774 0.321 . . . . 0.0 110.722 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 78' ' ' GLU . 54.1 t-20 -128.42 133.95 48.68 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.606 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -63.21 -43.11 99.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.508 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.47 96.32 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.872 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.7 mm -73.25 -44.1 55.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.202 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 35.4 p -74.23 -25.57 59.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.952 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -126.26 113.0 16.38 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.396 0.617 . . . . 0.0 110.458 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.662 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 1.4 pm0 -69.3 -35.2 75.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.334 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.402 HG12 ' H ' ' A' ' 84' ' ' ILE . 5.0 pt -60.23 -40.73 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.284 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.61 -46.26 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.957 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.83 -36.21 92.43 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.299 -1.121 . . . . 0.0 110.299 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.09 -45.17 93.81 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.412 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.7 -36.52 83.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -65.75 -46.94 76.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.466 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.58 -44.07 97.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.516 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -44.58 87.2 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.518 -179.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -64.33 -40.83 96.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.288 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.497 ' O ' ' SD ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -57.33 -47.67 80.95 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.938 -178.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.03 -37.43 84.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.198 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.13 -43.91 87.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.803 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.3 -44.35 95.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.454 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' A' ' 93' ' ' TYR . 2.8 mpp? -66.26 -42.27 88.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -61.93 -49.31 76.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.498 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.12 -41.08 99.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -53.36 -54.16 40.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.496 -178.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.71 -49.87 69.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.981 0.42 . . . . 0.0 110.771 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -56.04 -41.42 75.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.209 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -63.54 -43.37 97.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.621 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -65.8 -34.21 77.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.053 0.454 . . . . 0.0 110.185 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.78 -41.27 78.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.167 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -66.25 -26.04 67.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.477 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.44 -25.48 67.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.432 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.88 -12.83 57.74 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 109' ' ' ARG . 10.0 ptp180 -98.83 136.28 39.08 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -113.06 140.53 47.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.035 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -141.79 162.55 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.539 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -30.33 70.84 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.188 0.518 . . . . 0.0 110.525 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.595 ' OD1' ' N ' ' A' ' 114' ' ' MET . 38.4 p30 -57.95 -24.67 59.0 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.086 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.595 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 3.3 tpp -65.7 -45.79 81.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.717 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.44 -43.3 98.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -38.98 92.2 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.748 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.1 m -61.92 -46.94 87.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.738 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -61.53 -43.77 98.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -55.87 -41.75 74.88 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.898 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.7 m -62.11 -43.18 99.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.398 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.426 ' O ' HD13 ' A' ' 125' ' ' ILE . . . -55.48 -53.96 49.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.704 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.9 m -58.6 -38.23 77.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.097 0.475 . . . . 0.0 110.616 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.548 ' O ' ' OD2' ' A' ' 126' ' ' ASP . 4.3 tp -61.1 -43.74 98.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.764 0.792 . . . . 0.0 110.183 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.06 -39.18 93.96 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 121.563 0.696 . . . . 0.0 110.467 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 121' ' ' ALA . 1.4 mp -55.39 -47.66 77.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.216 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.572 ' O ' ' OG1' ' A' ' 129' ' ' THR . 0.9 OUTLIER -59.29 -39.69 83.77 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-O 122.474 1.13 . . . . 0.0 109.962 -178.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.62 ' O ' HG22 ' A' ' 130' ' ' VAL . 97.5 t -59.12 -28.26 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.75 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 90.4 mt -82.26 -35.33 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.358 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.572 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 48.7 p -55.95 -27.1 50.92 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.198 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 127' ' ' VAL . 7.7 m -52.41 -33.52 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.373 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -69.01 -35.86 77.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.47 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 101.48 -6.9 55.72 Favored Glycine 0 N--CA 1.464 0.527 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.504 ' O ' HD22 ' A' ' 134' ' ' LEU . 1.0 OUTLIER -103.79 109.16 20.78 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.693 0.282 . . . . 0.0 110.465 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.504 HD22 ' O ' ' A' ' 133' ' ' GLU . 0.6 OUTLIER -127.81 131.45 49.56 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.29 179.508 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 139' ' ' VAL . 0.0 OUTLIER -96.79 170.67 9.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.344 179.11 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.415 ' N ' ' OG1' ' A' ' 135' ' ' THR . 98.2 m-20 -64.78 -38.21 90.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.804 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 137' ' ' GLU . 0.4 OUTLIER -57.29 -52.66 64.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.967 -178.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -62.05 -39.89 93.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.718 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 135' ' ' THR . 58.8 t -60.09 -45.21 95.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.186 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -63.35 -40.61 97.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -58.35 -48.3 81.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.789 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -63.49 -48.68 76.6 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.95 -44.03 97.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.789 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -66.28 -43.15 87.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.323 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.14 -46.22 88.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -61.24 -48.94 79.17 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.229 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 53.8 m0 -65.38 -49.17 70.33 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.741 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -63.04 -47.49 82.78 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 123.464 0.478 . . . . 0.0 111.257 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -53.43 -57.2 11.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.85 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 85.9 m -63.29 -42.09 99.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.448 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.406 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 85.8 t80 -57.97 -47.64 82.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.705 -178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.34 -44.36 99.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.657 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -57.94 -47.39 83.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.61 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.425 ' O ' ' OD1' ' A' ' 158' ' ' ASN . 20.8 m-20 -65.21 -38.86 91.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.588 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 90.8 m -62.15 -49.22 76.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.037 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.74 -40.79 98.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.585 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -63.13 -31.82 73.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.706 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 154' ' ' ASN . 2.4 m120 -88.54 2.92 52.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.395 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 77.75 -0.9 69.52 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -91.22 148.82 22.08 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.8 0.333 . . . . 0.0 110.507 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 47.0 p -93.48 143.98 27.51 Favored Pre-proline 0 N--CA 1.448 -0.532 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.459 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.02 162.47 38.95 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.863 2.376 . . . . 0.0 112.263 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.35 179.278 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 CA--C 1.518 -0.261 0 CA-C-O 120.877 0.37 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.408 ' O ' ' NE2' ' A' ' 66' ' ' GLN . . . -60.11 149.57 74.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.593 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.02 151.35 82.14 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 122.706 2.271 . . . . 0.0 111.935 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.658 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.1 mp -96.42 150.59 37.27 Favored Pre-proline 0 N--CA 1.454 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.877 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -49.25 165.38 0.23 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.497 2.131 . . . . 0.0 111.39 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.17 134.81 62.19 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.856 2.371 . . . . 0.0 111.771 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tp -76.61 116.6 58.05 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.828 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.49 154.24 40.07 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.443 2.096 . . . . 0.0 112.157 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.21 -26.11 64.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -66.11 -32.39 73.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.897 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.402 ' C ' ' N ' ' A' ' 16' ' ' SER . 3.2 m-85 -93.11 -7.93 44.13 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.554 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -44.93 -23.85 0.17 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.784 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 14' ' ' PHE . 65.8 p -61.04 -34.81 75.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.512 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' O ' HD21 ' A' ' 21' ' ' LEU . 24.2 pt -105.11 22.51 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.922 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -62.15 -37.3 84.65 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.635 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -68.1 -37.72 81.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.553 ' CD2' HD11 ' A' ' 123' ' ' LEU . 25.8 m80 -55.93 -61.86 2.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.271 0.558 . . . . 0.0 111.264 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.427 ' CD2' ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -58.54 -48.65 80.16 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.262 -179.623 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -54.4 -47.81 72.31 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.274 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 18.5 m -64.01 -45.73 87.64 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.744 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.01 -30.52 71.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -62.18 -47.38 84.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' OE2' ' N ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -81.45 -16.43 52.02 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.763 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.524 ' N ' ' OE2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -84.6 -17.96 37.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.678 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -59.96 -40.72 90.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.754 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -84.5 -8.67 58.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.18 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -99.39 -46.89 5.35 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -158.46 100.71 1.7 Allowed Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.486 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -51.82 -33.19 49.72 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.721 2.281 . . . . 0.0 112.071 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.22 -45.34 98.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.488 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.1 t -62.58 -44.96 99.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.222 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.13 97.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -55.07 -53.45 55.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.968 0.414 . . . . 0.0 110.583 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -68.59 -42.64 77.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.12 0.486 . . . . 0.0 110.93 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.5 t -55.24 -44.32 75.38 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.24 0.543 . . . . 0.0 110.339 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -43.68 98.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.873 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.4 tp -50.8 -46.07 59.57 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.016 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -60.54 -47.25 86.99 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 119.49 -0.884 . . . . 0.0 110.193 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.49 -36.21 63.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.539 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.509 ' O ' ' SD ' ' A' ' 47' ' ' MET . 50.6 mtt -62.63 -63.55 1.19 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.599 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -43.21 -54.52 4.46 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.885 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.3 m -68.49 -42.54 78.5 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.84 0.352 . . . . 0.0 111.423 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -58.48 -54.07 40.73 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 121.226 -0.512 . . . . 0.0 111.966 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.1 OUTLIER -66.58 -29.08 69.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.722 -0.281 . . . . 0.0 110.467 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -58.44 -45.08 89.24 Favored 'General case' 0 C--O 1.231 0.095 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.188 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.9 mt -65.96 -44.33 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.578 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -143.25 110.72 5.81 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.8 m -56.53 -63.72 1.1 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.687 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -156.94 99.64 1.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.592 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.605 HG22 ' H ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER -106.79 157.8 34.32 Favored Pre-proline 0 N--CA 1.465 0.283 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -36.82 -45.31 1.21 Allowed 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.669 2.246 . . . . 0.0 112.44 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 57' ' ' ARG . 24.4 mp0 -86.9 -65.37 1.02 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 111.084 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.605 ' H ' HG22 ' A' ' 53' ' ' THR . 70.8 m -40.8 -22.76 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.795 0.331 . . . . 0.0 110.501 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 55' ' ' GLU . 1.5 tmt_? -51.36 -57.73 8.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.001 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -66.03 -30.54 71.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.631 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -63.59 -48.35 77.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.515 ' O ' ' SD ' ' A' ' 64' ' ' MET . 78.3 mt -65.66 -40.77 92.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.6 m -57.45 -50.69 72.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.933 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -67.86 -39.15 83.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.045 0.45 . . . . 0.0 111.02 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.2 tp -59.97 -46.85 88.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.222 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.594 ' SD ' ' N ' ' A' ' 64' ' ' MET . 0.0 OUTLIER -64.93 -40.32 94.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.915 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -65.17 -36.17 83.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.301 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -59.25 -52.17 66.8 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.571 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -39.52 95.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.214 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.13 -42.13 94.13 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.977 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.37 90.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.953 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.1 mt -61.61 -41.0 96.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.524 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -59.62 -49.7 76.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.381 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -65.6 -38.66 90.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.747 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -52.41 -55.85 18.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.298 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.0 mt -74.68 -44.39 50.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.93 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.43 -101.09 2.65 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -102.07 88.37 3.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.471 0.176 . . . . 0.0 110.788 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.07 139.73 49.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.398 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.416 ' OE2' ' NE2' ' A' ' 82' ' ' GLN . 2.2 tp10 -67.23 -36.56 81.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.195 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.05 1.04 25.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.667 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mm -120.93 -21.21 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.728 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 p -99.61 -28.51 13.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.766 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.416 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 74.5 mt-30 -112.14 118.58 35.76 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.951 0.405 . . . . 0.0 110.398 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.89 -37.69 82.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.061 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.417 HG13 ' H ' ' A' ' 85' ' ' VAL . 1.2 pt -62.5 -44.88 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.877 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.417 ' H ' HG13 ' A' ' 84' ' ' ILE . 59.5 t -63.14 -43.94 99.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.94 -42.59 99.76 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.553 ' SG ' ' CD2' ' A' ' 131' ' ' PHE . 19.7 m -61.54 -37.67 84.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.866 0.365 . . . . 0.0 110.14 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.57 89.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.574 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -61.27 -45.34 94.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.104 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.41 -42.87 98.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.58 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.04 -46.81 78.75 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.445 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -64.05 -40.11 95.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.685 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -60.84 -45.82 92.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.793 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.6 85.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.891 0.377 . . . . 0.0 110.177 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.89 -42.35 97.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.01 -46.83 88.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.227 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -66.34 -36.82 83.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.05 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -58.86 -48.46 81.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.052 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.7 mt -68.68 -37.13 79.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.308 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -55.95 -50.76 69.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.047 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.415 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -63.31 -45.47 91.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.357 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -61.0 -40.37 93.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.449 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -61.03 -40.41 93.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.259 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -61.64 -40.39 94.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.467 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.477 ' OD1' ' CE ' ' A' ' 114' ' ' MET . 1.9 m-20 -62.86 -43.59 98.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -62.54 -40.56 97.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.19 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.83 -19.81 66.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.16 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.84 30.86 25.25 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.448 HH11 ' HG2' ' A' ' 109' ' ' ARG . 29.9 mtt-85 -122.8 132.03 54.03 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -127.11 133.83 50.33 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.258 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -150.84 172.64 15.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.616 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -61.0 -37.41 82.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.649 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.51 -35.58 65.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.212 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.477 ' CE ' ' OD1' ' A' ' 105' ' ' ASP . 1.6 ttp -61.97 -40.61 96.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.123 0.487 . . . . 0.0 110.498 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 11.2 mm -66.05 -43.71 92.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.416 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -66.63 -37.48 84.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.371 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.1 t -57.87 -44.73 86.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.942 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.474 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 11.5 m-85 -63.42 -45.28 91.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.41 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -62.51 -42.57 99.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.274 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.4 m -61.29 -45.55 94.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.647 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.29 78.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.5 t -62.75 -41.53 99.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.522 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.553 HD11 ' CD2' ' A' ' 20' ' ' HIS . 48.5 tp -60.88 -44.67 96.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.349 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.78 -43.15 99.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.944 0.878 . . . . 0.0 110.331 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 67.7 mt -55.84 -41.87 68.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.57 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -59.52 -43.44 93.42 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.674 0.75 . . . . 0.0 110.015 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.691 ' O ' HG22 ' A' ' 130' ' ' VAL . 91.9 t -54.64 -28.73 19.8 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.255 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 55.0 mt -78.16 -33.46 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 121.219 0.533 . . . . 0.0 110.4 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.502 ' HA ' HD23 ' A' ' 134' ' ' LEU . 72.4 p -62.84 -26.13 68.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.679 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 127' ' ' VAL . 6.2 m -51.7 -39.89 25.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.553 ' CD2' ' SG ' ' A' ' 87' ' ' CYS . 97.2 m-85 -64.01 -39.98 95.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.852 0.358 . . . . 0.0 110.639 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.86 -21.16 18.95 Favored Glycine 0 N--CA 1.465 0.58 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -89.8 113.21 24.73 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.507 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -135.99 124.45 23.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.967 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 135' ' ' THR . 1.3 t -82.9 159.21 22.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.357 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -62.08 -35.86 79.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.669 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -53.29 -54.0 42.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.122 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -61.78 -41.16 97.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.737 0.304 . . . . 0.0 110.837 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.406 ' CG1' ' NZ ' ' A' ' 143' ' ' LYS . 92.9 t -60.63 -46.6 95.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.762 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -62.63 -44.28 96.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.813 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -67.96 -31.72 71.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.407 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -62.84 -49.3 75.45 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.906 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.406 ' NZ ' ' CG1' ' A' ' 139' ' ' VAL . 64.4 mttp -63.52 -40.9 98.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.484 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.19 -46.5 88.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.18 90.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.686 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -60.87 -48.61 81.01 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.409 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -70.54 -41.28 72.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.079 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -59.48 -40.86 88.33 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.608 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.474 ' HB2' ' HB3' ' A' ' 118' ' ' PHE . . . -69.51 -48.24 61.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.043 0.449 . . . . 0.0 110.8 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 7.4 m -64.76 -42.07 95.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.808 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -58.53 -49.77 76.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.668 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 93.6 mt -66.16 -44.2 91.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.826 0.346 . . . . 0.0 110.789 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -57.09 -48.25 79.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.702 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -65.05 -43.03 93.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.87 0.367 . . . . 0.0 110.799 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 160' ' ' GLU . 0.0 OUTLIER -56.23 -48.41 76.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.943 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 44.3 mt -64.11 -35.8 81.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.368 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -61.77 -32.23 72.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.624 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -92.64 9.45 34.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 61.02 39.37 96.98 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.463 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 56.6 mm-40 -114.25 152.73 30.85 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.774 0.321 . . . . 0.0 110.458 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 27.8 m -84.25 123.27 75.33 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.38 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.21 160.35 42.54 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.583 2.188 . . . . 0.0 112.166 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.48 179.742 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.7 mt . . . . . 0 N--CA 1.463 0.196 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.32 154.51 88.1 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.56 144.91 86.27 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.97 2.447 . . . . 0.0 111.43 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.681 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.4 mm? -91.34 146.27 33.07 Favored Pre-proline 0 C--N 1.328 -0.354 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.201 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -55.07 172.5 0.37 Allowed 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.198 1.932 . . . . 0.0 112.358 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.09 137.46 53.91 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.37 2.047 . . . . 0.0 111.208 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.78 115.97 61.47 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.981 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.22 163.23 25.25 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.347 2.032 . . . . 0.0 112.152 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.5 -26.5 67.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.201 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -57.34 -38.07 73.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.714 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -105.91 42.19 1.29 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.007 0.432 . . . . 0.0 111.031 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -78.73 -28.97 45.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.345 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.5 m -69.55 -41.94 75.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.351 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.4 pt -90.21 10.79 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.619 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -58.76 -49.29 78.18 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.456 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -67.55 -33.63 75.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.958 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.48 ' CD2' ' CD1' ' A' ' 41' ' ' TYR . 45.6 m80 -59.3 -64.14 1.05 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.662 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.86 -39.01 90.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.665 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -58.83 -44.64 90.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.154 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.6 m -60.71 -43.19 98.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.296 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.17 89.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.565 ' CD ' HH22 ' A' ' 39' ' ' ARG . 8.0 mm100 -53.62 -41.65 66.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.975 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -71.26 -46.86 60.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.776 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' ASP . 33.5 m80 -65.27 -17.62 64.65 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.836 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -60.19 -38.56 83.63 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.351 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -74.35 -43.77 55.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -78.05 -52.09 9.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.251 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 27' ' ' HIS . 1.1 m-20 -135.17 110.38 10.73 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.309 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.54 -33.21 8.86 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.928 1.752 . . . . 0.0 112.016 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.87 -45.5 96.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.444 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.09 -43.91 97.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.515 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.77 75.33 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.579 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -52.72 -50.91 62.47 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.829 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -65.65 -43.75 88.47 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.073 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 98.4 m -59.94 -39.91 87.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.703 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.565 HH22 ' CD ' ' A' ' 25' ' ' GLN . 91.6 mtt-85 -64.15 -38.68 91.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.396 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.85 -43.75 90.85 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.48 ' CD1' ' CD2' ' A' ' 20' ' ' HIS . 41.2 t80 -60.77 -45.46 94.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.88 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.702 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.509 ' O ' ' SD ' ' A' ' 47' ' ' MET . 47.3 mtt -60.62 -62.03 2.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.522 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -44.58 -49.15 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.529 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -66.54 -34.92 78.99 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.117 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.78 -60.77 6.54 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.783 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -60.71 -35.61 76.74 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.775 0.322 . . . . 0.0 110.274 -179.682 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -59.65 -47.05 87.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.377 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.8 mt -70.03 -57.35 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.888 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -120.46 121.59 38.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.075 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.8 m -58.52 -94.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.296 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -142.63 106.62 4.71 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.126 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 57' ' ' ARG . 7.0 m -97.85 129.75 30.5 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -39.8 -31.02 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.032 1.821 . . . . 0.0 112.616 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -84.52 -41.99 15.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 59' ' ' PHE . 74.7 m -79.53 -21.56 45.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 53' ' ' THR . 15.9 ttp180 -41.62 -46.3 3.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.049 0.452 . . . . 0.0 110.541 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.3 -39.35 92.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.179 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' CYS . 27.8 t80 -61.23 -49.07 78.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.793 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.88 -41.99 99.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.603 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.0 m -60.77 -48.15 83.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.51 -35.58 81.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.988 0.423 . . . . 0.0 110.647 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.81 -47.98 81.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.58 0.705 . . . . 0.0 110.954 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.518 ' SD ' ' N ' ' A' ' 64' ' ' MET . 0.0 OUTLIER -64.37 -32.26 73.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.664 178.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.28 -39.96 92.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.432 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.607 ' NE2' HD21 ' A' ' 7' ' ' LEU . 72.6 mt-30 -65.36 -36.67 84.7 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.244 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 tt -57.96 -51.92 67.65 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.982 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.42 -33.41 75.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.266 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.74 78.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.422 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.14 -41.44 97.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.626 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -59.03 -46.24 88.7 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.588 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.81 -38.61 86.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.321 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -52.56 -56.02 18.14 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.523 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.8 mt -77.36 -41.88 38.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.977 0.418 . . . . 0.0 110.695 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.69 -103.16 1.14 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -83.5 83.89 7.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.84 0.352 . . . . 0.0 110.608 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.97 132.84 56.1 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.805 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.07 -41.65 97.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.113 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.92 -40.12 91.15 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.036 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.6 mm -69.69 -43.94 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 0.0 110.566 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.8 p -73.1 -47.72 41.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.062 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -98.42 121.95 41.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.386 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.491 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 5.4 pm0 -69.94 -36.86 75.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.943 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.469 ' CG1' ' N ' ' A' ' 85' ' ' VAL . 6.2 pt -60.06 -44.82 95.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.273 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.469 ' N ' ' CG1' ' A' ' 84' ' ' ILE . 77.6 t -63.15 -46.38 96.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.014 0.435 . . . . 0.0 109.907 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.41 -40.66 97.96 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 83' ' ' GLU . 100.0 m -63.12 -40.28 97.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.284 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.01 96.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.398 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -60.14 -47.52 85.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.888 0.375 . . . . 0.0 110.6 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.462 ' HB3' HD12 ' A' ' 124' ' ' LEU . 9.8 mp -63.41 -42.24 98.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.362 0.601 . . . . 0.0 110.511 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -63.69 -39.77 95.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.677 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -60.14 -39.12 85.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.137 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -45.3 94.78 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.322 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.47 -44.83 72.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.387 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.36 -38.56 91.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.762 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -55.33 -50.02 70.7 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.401 -0.52 . . . . 0.0 109.855 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -69.62 -41.22 75.95 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.855 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.526 ' CD2' ' NE2' ' A' ' 141' ' ' HIS . 33.0 t80 -61.17 -48.25 82.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.574 -178.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.1 mt -65.21 -41.84 94.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.58 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -61.14 -46.32 91.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.474 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.449 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -65.2 -50.42 65.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.262 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -58.02 -41.11 82.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.586 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -61.59 -41.15 97.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.386 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.33 -37.79 86.18 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.392 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.97 -43.46 95.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.71 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -63.79 -36.07 82.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.399 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.62 -15.43 61.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.267 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.76 19.58 63.25 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.45 ' CD ' ' NE2' ' A' ' 111' ' ' HIS . 39.0 ttm-85 -116.23 125.19 51.89 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.421 ' O ' ' ND1' ' A' ' 111' ' ' HIS . 17.1 m-85 -108.53 134.89 50.69 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.45 ' NE2' ' CD ' ' A' ' 109' ' ' ARG . 41.0 m-70 -146.74 151.07 36.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.462 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -55.45 -28.95 57.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.522 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -56.95 -33.1 66.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.152 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 89.3 mtp -63.72 -41.64 98.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.535 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.8 mm -62.44 -44.84 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.588 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -63.14 -39.72 95.48 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.4 p -58.87 -45.94 88.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.449 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 47.8 m-85 -63.8 -42.79 97.62 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -57.27 -45.49 83.99 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.247 0.546 . . . . 0.0 109.765 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 15.4 m -63.2 -42.0 99.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.375 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.49 -48.33 77.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.581 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.7 p -58.28 -39.24 78.75 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.213 0.53 . . . . 0.0 110.689 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.35 -41.48 98.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.134 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -57.97 -42.63 85.42 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.882 -179.404 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.541 ' O ' HG23 ' A' ' 129' ' ' THR . 45.5 mm -58.4 -47.58 87.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.113 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.476 ' O ' ' OG1' ' A' ' 129' ' ' THR . 1.1 m-20 -52.5 -47.83 66.35 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-O 121.434 0.635 . . . . 0.0 110.813 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.615 ' O ' HG22 ' A' ' 130' ' ' VAL . 29.7 t -60.5 -29.14 43.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.083 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.4 mt -81.67 -29.54 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.952 0.406 . . . . 0.0 110.466 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 125' ' ' ILE . 65.1 p -65.04 -27.57 68.89 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.645 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 127' ' ' VAL . 8.5 m -51.4 -34.42 15.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 119.704 -0.798 . . . . 0.0 110.496 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.468 ' CZ ' ' SG ' ' A' ' 87' ' ' CYS . 94.2 m-85 -68.36 -36.03 78.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.941 0.401 . . . . 0.0 110.863 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 98.49 -11.98 63.17 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -83.34 93.07 7.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.46 132.32 54.29 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.417 ' O ' HG23 ' A' ' 139' ' ' VAL . 3.7 p -103.53 171.31 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.193 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -62.21 -42.91 99.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.015 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.31 -45.89 91.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.798 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -63.85 -39.9 95.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.619 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 135' ' ' THR . 40.6 t -61.13 -46.04 97.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.203 0.525 . . . . 0.0 109.71 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -68.87 -26.13 64.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.297 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.526 ' NE2' ' CD2' ' A' ' 98' ' ' PHE . 36.0 t-80 -61.68 -49.42 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.473 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 143' ' ' LYS . 13.4 ptm180 -68.48 -41.18 80.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.504 ' NZ ' ' CE3' ' A' ' 147' ' ' TRP . 0.0 OUTLIER -64.39 -50.06 69.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.442 -178.792 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -60.11 -48.27 82.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.25 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.57 -41.76 90.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.319 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -56.14 -57.3 12.76 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.273 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' TRP . . . . . 0.504 ' CE3' ' NZ ' ' A' ' 143' ' ' LYS . 45.2 m0 -62.72 -51.42 67.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.351 -178.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -57.41 -44.07 84.25 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.423 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -53.77 -53.14 56.5 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.654 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 36.8 m -69.26 -32.17 71.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.207 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -58.91 -53.08 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.929 -178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.86 -42.64 86.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -56.63 -48.35 77.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.069 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -65.67 -42.34 91.43 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.178 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 156' ' ' LEU . 1.6 p -56.41 -46.48 80.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 111.011 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.604 ' N ' ' SG ' ' A' ' 155' ' ' CYS . 12.9 mt -64.65 -41.23 96.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.779 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -59.9 -38.34 82.02 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -78.63 -17.71 55.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.698 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 84.28 32.12 23.59 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -117.87 148.49 42.08 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.716 0.294 . . . . 0.0 110.71 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 78.7 m -78.85 123.1 85.31 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.72 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.49 160.58 44.16 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.01 1.807 . . . . 0.0 112.492 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.194 179.584 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 CA--C 1.516 -0.344 0 CA-C-O 120.809 0.338 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.26 162.43 73.78 Favored Pre-proline 0 C--N 1.326 -0.43 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.862 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.63 147.28 81.51 Favored 'Trans proline' 0 N--CA 1.498 1.737 0 C-N-CA 122.986 2.457 . . . . 0.0 112.087 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.843 HD22 ' N ' ' A' ' 7' ' ' LEU . 1.4 mm? -101.63 151.18 37.82 Favored Pre-proline 0 C--O 1.235 0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.054 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.28 162.95 0.71 Allowed 'Trans proline' 0 C--N 1.316 -1.15 0 C-N-CA 122.248 1.965 . . . . 0.0 111.569 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.07 126.59 19.27 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 123.035 2.49 . . . . 0.0 111.655 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 tp -63.4 112.94 8.05 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.384 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -62.97 150.93 87.12 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 122.672 2.248 . . . . 0.0 111.985 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.84 -25.33 64.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -63.21 -37.93 89.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.492 ' HB3' HD11 ' A' ' 17' ' ' ILE . 39.4 m-85 -101.68 25.77 8.14 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.878 0.371 . . . . 0.0 110.669 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -65.6 -40.31 92.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.681 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -55.81 -35.81 66.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.595 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.492 HD11 ' HB3' ' A' ' 14' ' ' PHE . 46.0 pt -94.97 21.38 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.171 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -63.94 -43.34 96.15 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.344 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -66.46 -36.68 83.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.715 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -56.47 -65.3 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.038 0.446 . . . . 0.0 111.136 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -35.15 73.11 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.532 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -60.3 -45.47 93.24 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.768 0.794 . . . . 0.0 110.076 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.647 HG22 ' ND1' ' A' ' 27' ' ' HIS . 11.6 m -62.18 -42.9 99.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.786 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -58.9 -40.91 85.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.323 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -56.44 -44.3 80.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.996 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -77.74 -35.53 51.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.417 0.627 . . . . 0.0 110.618 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.647 ' ND1' HG22 ' A' ' 23' ' ' THR . 2.4 m80 -75.54 -16.96 60.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.723 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ALA . 10.2 m-20 -59.31 -36.13 75.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.951 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -95.84 -34.58 11.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.774 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -76.03 -44.79 37.6 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.979 0.418 . . . . 0.0 110.968 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -147.77 93.08 4.6 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.345 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.59 -43.24 59.4 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 122.735 2.29 . . . . 0.0 112.547 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.1 -46.04 97.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.481 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 73.5 t -59.44 -45.13 93.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.171 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.23 93.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.703 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -52.02 -57.24 10.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.935 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -62.72 -42.05 99.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 96.6 m -58.91 -40.9 85.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.033 0.444 . . . . 0.0 110.319 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.628 HH11 ' CD1' ' A' ' 63' ' ' LEU . 26.2 mmt180 -63.24 -41.0 99.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.44 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.2 tp -57.53 -42.88 83.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.181 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.3 -45.93 89.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.225 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.3 87.27 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.621 0.576 . . . . 0.0 110.874 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.2 mtt -60.34 -49.15 78.73 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.448 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -55.74 -58.46 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.5 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.8 t -61.49 -33.0 73.04 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.706 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.57 -63.78 4.69 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 22.3 ptp -60.52 -25.87 66.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 110.426 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -64.42 -49.57 71.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.448 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.39 -45.71 95.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.719 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.446 ' CG ' ' H ' ' A' ' 51' ' ' SER . 47.2 t0 -121.7 -122.76 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.258 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.446 ' H ' ' CG ' ' A' ' 50' ' ' ASP . 39.7 t -176.78 -101.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.513 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -136.14 98.03 3.76 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.7 m -98.19 131.86 25.57 Favored Pre-proline 0 CA--C 1.537 0.444 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.078 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -40.27 -32.06 0.65 Allowed 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 122.286 1.991 . . . . 0.0 112.36 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -86.27 -61.15 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.98 0.419 . . . . 0.0 110.429 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' PHE . 35.9 m -59.9 -27.14 66.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.641 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -41.68 -41.35 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.485 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -63.49 -42.82 98.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.273 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 56' ' ' CYS . 68.8 t80 -62.37 -48.68 78.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.401 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.475 ' O ' ' SD ' ' A' ' 64' ' ' MET . 27.7 mt -63.94 -40.85 97.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.5 m -59.92 -51.23 70.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.043 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.16 -37.91 89.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.37 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.628 ' CD1' HH11 ' A' ' 39' ' ' ARG . 29.4 tp -59.76 -48.34 82.07 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-O 121.636 0.731 . . . . 0.0 110.972 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.57 ' SD ' ' N ' ' A' ' 64' ' ' MET . 0.0 OUTLIER -61.8 -37.87 86.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.085 -179.666 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -63.92 -38.66 91.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.079 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.408 ' OE1' HD21 ' A' ' 7' ' ' LEU . 14.8 mt-30 -58.54 -47.22 84.92 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.186 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.19 -43.2 99.26 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.719 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -63.79 -34.18 77.33 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.21 90.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.512 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.98 -40.48 95.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.587 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -61.08 -47.73 84.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.169 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -67.64 -42.82 81.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.693 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -58.63 5.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.866 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.508 ' CB ' HD22 ' A' ' 77' ' ' ASN . 28.4 mt -73.17 -42.02 63.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.689 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.16 -99.4 2.34 Favored Glycine 0 N--CA 1.46 0.255 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -130.34 87.25 2.48 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.966 0.413 . . . . 0.0 110.817 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.66 ' ND2' ' N ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -97.26 156.72 16.3 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.786 -179.822 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.522 ' OE2' ' NE2' ' A' ' 82' ' ' GLN . 5.6 tp10 -53.0 -37.22 61.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.834 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.93 -37.75 61.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.891 0.377 . . . . 0.0 111.312 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 80' ' ' ILE . 44.1 mm -85.05 -5.42 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.76 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 77' ' ' ASN . 64.3 p -116.97 -8.31 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.961 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.522 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 43.1 mt-30 -139.05 117.09 11.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.047 0.451 . . . . 0.0 110.077 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -67.06 -34.92 78.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.925 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.413 HG13 ' H ' ' A' ' 85' ' ' VAL . 1.0 OUTLIER -60.31 -40.74 84.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.465 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.413 ' H ' HG13 ' A' ' 84' ' ' ILE . 72.3 t -68.08 -44.88 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.815 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.92 -44.3 92.55 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 88' ' ' ALA . 4.5 p -65.09 -41.16 95.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.95 0.405 . . . . 0.0 110.56 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.537 ' N ' ' SG ' ' A' ' 87' ' ' CYS . . . -63.58 -36.84 85.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.743 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.419 ' NE2' ' CZ ' ' A' ' 93' ' ' TYR . 33.6 t60 -63.33 -49.27 74.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.97 -42.71 97.18 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.775 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -56.19 -45.2 79.87 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.295 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -64.31 -40.64 96.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.419 ' CZ ' ' NE2' ' A' ' 89' ' ' HIS . 2.6 m-85 -59.7 -46.04 90.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.712 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.96 -46.22 85.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.966 0.412 . . . . 0.0 110.218 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.11 -41.38 98.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.026 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -59.94 -47.33 86.24 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.428 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 49.2 mtm -68.67 -39.83 80.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.705 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -59.54 -46.85 87.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.55 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.62 -39.95 95.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.262 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -55.32 -44.42 75.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.926 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.41 84.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.554 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.33 -38.59 84.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.434 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -62.12 -41.3 98.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.244 0.545 . . . . 0.0 110.232 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -70.83 -23.82 62.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.946 0.403 . . . . 0.0 110.175 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -74.13 -52.71 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.337 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -67.04 -23.44 65.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.503 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.29 -14.14 61.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.591 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 86.12 -21.69 15.31 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -82.96 142.41 31.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 0.0 110.316 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -126.4 138.72 53.57 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.278 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -145.86 156.58 43.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.405 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -59.66 -18.32 41.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.418 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -62.34 -37.22 84.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.406 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 55.4 mtp -58.33 -42.96 87.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.981 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 33.7 mm -62.45 -48.64 87.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.071 0.462 . . . . 0.0 110.345 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -65.64 -35.97 82.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.233 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.2 m -60.15 -45.89 91.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.761 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -63.59 -41.4 98.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.48 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -59.39 -44.26 92.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.954 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.3 m -60.31 -43.7 96.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.237 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.425 ' O ' HD13 ' A' ' 125' ' ' ILE . . . -54.26 -49.44 69.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.263 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.3 t -60.31 -40.47 90.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.425 0.631 . . . . 0.0 110.417 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 tp -58.95 -43.83 91.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.127 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 124' ' ' LEU . 2.8 tp -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.959 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.744 ' O ' HG23 ' A' ' 129' ' ' THR . 1.4 mp -52.47 -43.89 42.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.552 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.421 ' O ' ' OG1' ' A' ' 129' ' ' THR . 98.5 m-20 -59.4 -48.64 80.85 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-O 121.762 0.791 . . . . 0.0 109.979 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.711 ' O ' HG22 ' A' ' 130' ' ' VAL . 40.8 t -60.85 -24.16 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.136 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 95.5 mt -84.28 -31.76 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.52 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' THR . . . . . 1.057 HG22 HD21 ' A' ' 134' ' ' LEU . 71.1 p -64.72 -32.39 74.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 -178.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 127' ' ' VAL . 11.9 m -54.54 -29.23 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.596 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -62.6 -41.14 98.79 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.806 0.336 . . . . 0.0 110.351 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.74 0.99 25.87 Favored Glycine 0 N--CA 1.468 0.797 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.455 ' O ' HD22 ' A' ' 134' ' ' LEU . 11.8 pt-20 -114.5 125.89 54.33 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.041 0.448 . . . . 0.0 110.619 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 1.057 HD21 HG22 ' A' ' 129' ' ' THR . 0.5 OUTLIER -126.88 111.42 14.14 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.135 0.493 . . . . 0.0 110.219 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.606 HG23 ' H ' ' A' ' 138' ' ' ASN . 9.2 t -89.04 168.13 12.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.239 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -64.06 -42.3 97.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.737 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 56.2 mp0 -56.02 -43.15 77.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.028 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.606 ' H ' HG23 ' A' ' 135' ' ' THR . 92.7 m-20 -64.57 -45.01 88.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.802 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 89.9 t -65.45 -43.96 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.72 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -61.96 -44.31 97.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.948 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.415 ' O ' ' CB ' ' A' ' 145' ' ' ALA . 45.7 m170 -65.91 -36.29 82.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.156 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 54.0 ttt85 -56.85 -62.04 2.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.824 0.345 . . . . 0.0 110.703 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 144' ' ' TYR . 16.5 pttp -65.31 -43.65 90.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.451 ' N ' ' CG ' ' A' ' 143' ' ' LYS . 70.5 t80 -62.15 -45.25 94.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.379 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 141' ' ' HIS . . . -63.39 -48.67 76.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.422 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -56.73 -47.39 80.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.186 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -66.3 -46.93 75.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.662 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -60.94 -42.91 99.1 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.62 -55.52 32.91 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.718 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 8.9 m -69.1 -41.17 77.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.165 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.495 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 85.3 t80 -58.65 -47.58 83.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 81.2 mt -63.43 -43.48 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.959 -0.297 . . . . 0.0 110.596 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -58.99 -48.49 81.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.866 0.365 . . . . 0.0 110.545 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -66.39 -38.57 87.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.706 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 96.9 m -60.51 -42.87 97.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.68 -40.86 92.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.711 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -58.96 -44.03 91.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.437 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -78.77 -3.16 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.48 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 79.1 8.16 88.01 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -81.59 145.23 30.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 110.713 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.8 m -88.84 118.02 68.87 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.519 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -53.35 148.39 33.27 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.343 2.028 . . . . 0.0 112.394 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.102 179.856 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 N--CA 1.458 -0.058 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.34 158.4 69.25 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.833 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.404 ' C ' HD22 ' A' ' 7' ' ' LEU . 33.0 Cg_exo -60.88 151.24 78.88 Favored 'Trans proline' 0 N--CA 1.504 2.141 0 C-N-CA 122.291 1.994 . . . . 0.0 112.138 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.84 HD22 ' N ' ' A' ' 7' ' ' LEU . 1.3 mm? -105.95 144.3 28.63 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.049 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.5 165.08 32.99 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.369 2.046 . . . . 0.0 112.121 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.15 126.6 8.09 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.076 1.851 . . . . 0.0 111.388 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 tp -61.08 117.13 23.01 Favored Pre-proline 0 CA--C 1.543 0.7 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.947 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -54.9 156.53 15.17 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 121.997 1.798 . . . . 0.0 112.125 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.45 91.01 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.066 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.411 ' HG2' ' H ' ' A' ' 13' ' ' GLN . 3.5 pt20 -71.56 -20.06 62.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.964 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.772 ' CD2' HD11 ' A' ' 17' ' ' ILE . 3.2 m-30 -92.47 8.3 39.3 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.069 0.461 . . . . 0.0 110.433 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -61.53 -37.22 82.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.347 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 m -57.63 -34.14 68.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.879 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.772 HD11 ' CD2' ' A' ' 14' ' ' PHE . 42.2 pt -96.02 18.46 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.048 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -61.97 -45.19 94.72 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.275 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -69.88 -37.66 76.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.883 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.446 ' CD2' ' CD1' ' A' ' 41' ' ' TYR . 56.8 m80 -53.87 -61.7 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 111.342 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.57 -40.12 92.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -59.88 -42.43 93.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.053 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.6 m -62.15 -44.26 97.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.16 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.36 96.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.465 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -57.9 -45.33 86.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.429 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -70.85 -44.76 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.753 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.624 ' CE1' HH21 ' A' ' 30' ' ' ARG . 23.0 m80 -64.22 -34.89 79.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.178 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 41.1 t0 -46.69 -31.29 2.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.395 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -84.39 -19.43 33.55 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.317 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.624 HH21 ' CE1' ' A' ' 27' ' ' HIS . 83.8 mtm180 -103.08 -52.22 3.09 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.775 0.321 . . . . 0.0 110.918 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -139.95 92.32 9.88 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.491 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.88 -36.13 62.4 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 122.664 2.243 . . . . 0.0 112.529 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.08 -45.05 96.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.59 -43.88 98.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.989 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -43.42 95.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.621 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -55.82 -50.24 71.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 110.287 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -63.78 -42.96 97.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.451 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.8 m -61.66 -39.92 93.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.196 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' A' ' 66' ' ' GLN . 85.9 mtt-85 -62.5 -37.17 84.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.315 179.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.4 -47.58 85.45 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.341 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.446 ' CD1' ' CD2' ' A' ' 20' ' ' HIS . 55.4 t80 -61.59 -42.97 99.63 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.84 -50.89 62.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.492 ' HE3' HD13 ' A' ' 67' ' ' LEU . 38.8 mtt -63.01 -45.5 92.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.171 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.422 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 2.1 mt-30 -51.69 -51.11 58.53 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.04 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.6 m -71.42 -42.78 67.85 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.709 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.15 -49.29 76.24 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.422 ' SD ' ' HA ' ' A' ' 44' ' ' GLN . 5.2 ptm -67.51 -29.27 68.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 4.5 tptp -59.27 -49.99 75.73 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.007 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.16 -48.41 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.547 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' CG ' ' OG1' ' A' ' 53' ' ' THR . 15.7 t0 -145.5 100.11 3.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.88 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.5 m -47.85 -81.0 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.76 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -115.23 104.76 12.15 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.42 ' OG1' ' CG ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -107.36 133.39 20.38 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -42.28 -42.23 7.55 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.06 1.84 . . . . 0.0 112.765 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -85.16 -53.26 5.37 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.741 0.305 . . . . 0.0 111.418 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.638 ' SG ' ' CZ ' ' A' ' 14' ' ' PHE . 4.4 t -58.61 -21.74 54.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.046 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -49.79 -42.59 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.2 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -62.28 -44.14 97.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.236 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.44 -47.41 84.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.187 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.53 -41.77 98.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.559 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.5 m -55.77 -61.37 2.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.871 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -63.37 -43.81 96.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.057 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.9 tp -56.88 -48.01 79.16 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.668 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.03 -38.62 89.38 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.467 -0.493 . . . . 0.0 109.883 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.38 -37.85 82.08 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.942 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.535 HE22 HD21 ' A' ' 7' ' ' LEU . 70.0 mt-30 -63.74 -37.85 88.9 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.283 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.492 HD13 ' HE3' ' A' ' 43' ' ' MET . 11.2 tp -60.02 -48.62 80.94 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.904 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.7 -32.71 73.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.126 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.33 96.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.023 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.77 -41.92 97.88 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.378 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -61.63 -47.19 86.55 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.229 -0.588 . . . . 0.0 109.64 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -69.26 -40.22 77.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -56.57 -51.81 67.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.4 mt -70.76 -41.35 71.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.53 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.03 -99.54 0.51 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -87.15 85.4 7.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.926 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.83 129.7 53.66 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.753 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -66.73 -39.71 88.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.46 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.03 -39.66 83.06 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.993 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.7 mm -69.45 -45.16 79.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.852 0.358 . . . . 0.0 110.76 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.7 p -69.64 -47.18 64.27 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.067 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -96.09 117.63 31.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.421 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.665 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 3.5 pm0 -69.57 -37.34 76.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.977 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.5 pt -62.33 -42.55 95.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.485 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.9 t -64.05 -46.52 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.97 -38.64 95.72 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.7 t -64.1 -43.31 95.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.332 . . . . 0.0 110.316 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.74 90.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.319 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.567 ' NE2' ' CE1' ' A' ' 93' ' ' TYR . 57.8 t60 -61.87 -44.0 97.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.389 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.73 -42.85 97.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.4 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -58.59 -44.66 89.93 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.14 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.94 -39.21 93.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.744 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.567 ' CE1' ' NE2' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -58.27 -46.25 86.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.335 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.41 93.56 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.654 -0.419 . . . . 0.0 109.871 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.46 -42.73 98.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.395 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -62.44 -45.91 90.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.863 0.364 . . . . 0.0 110.582 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 48.7 mtm -66.94 -39.02 87.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.846 0.355 . . . . 0.0 110.549 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -60.08 -46.47 89.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.61 -40.76 97.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.346 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -58.23 -44.18 88.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.931 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.423 ' HB1' ' CZ ' ' A' ' 118' ' ' PHE . . . -60.97 -48.02 83.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.549 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.47 -40.81 97.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.922 0.392 . . . . 0.0 110.526 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -62.72 -43.4 98.89 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.194 0.521 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 5.2 tm-20 -62.99 -33.97 76.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.897 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -61.2 -44.7 96.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.781 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -64.98 -24.9 67.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.244 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 104' ' ' GLU . . . -63.09 -25.41 68.35 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.445 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.75 -24.08 19.6 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -83.04 139.36 33.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.022 0.439 . . . . 0.0 110.204 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.54 135.27 54.85 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.4 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.444 ' ND1' ' N ' ' A' ' 112' ' ' LYS . 41.6 t-80 -147.53 162.36 39.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.092 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.444 ' N ' ' ND1' ' A' ' 111' ' ' HIS . 64.2 mmtt -56.89 -17.82 10.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -61.92 -36.98 82.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.453 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 38.5 mmm -60.36 -44.84 95.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 40.9 mm -62.37 -44.07 98.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.913 0.387 . . . . 0.0 110.204 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -63.93 -41.82 97.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.552 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.5 p -59.29 -46.36 88.77 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.866 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.423 ' CZ ' ' HB1' ' A' ' 101' ' ' ALA . 43.5 m-85 -64.66 -43.0 95.0 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.836 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -63.9 -42.12 97.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.435 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.4 m -59.79 -43.88 94.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.605 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.69 -48.89 79.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.742 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 93.9 p -58.34 -37.5 75.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.039 0.447 . . . . 0.0 110.913 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 123' ' ' LEU . 71.0 mt -63.84 -43.78 95.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.481 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.88 -36.27 83.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.675 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 129' ' ' THR . 5.0 mm -59.24 -44.73 92.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.67 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.44 -42.89 97.03 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 121.454 0.645 . . . . 0.0 110.027 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.605 ' O ' HG22 ' A' ' 130' ' ' VAL . 73.1 t -57.61 -28.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.055 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 97.6 mt -81.1 -34.39 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.8 0.333 . . . . 0.0 110.542 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.599 HG22 HD11 ' A' ' 134' ' ' LEU . 73.8 p -62.28 -26.02 68.17 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.78 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 127' ' ' VAL . 4.3 m -52.53 -31.89 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.771 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -63.91 -27.42 69.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.619 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.61 -19.12 54.88 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 1.1 mp0 -95.79 122.06 38.17 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.881 0.372 . . . . 0.0 110.35 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.599 HD11 HG22 ' A' ' 129' ' ' THR . 2.7 mt -129.54 138.63 51.44 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.133 0.492 . . . . 0.0 110.771 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.454 HG23 ' H ' ' A' ' 138' ' ' ASN . 0.2 OUTLIER -105.76 149.07 26.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.89 178.275 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -50.61 -30.76 14.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.589 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.414 ' N ' ' OE2' ' A' ' 137' ' ' GLU . 1.4 mp0 -64.45 -50.8 66.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.518 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.454 ' H ' HG23 ' A' ' 135' ' ' THR . 6.0 m-20 -61.99 -45.5 93.34 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.198 -179.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.82 -45.21 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -62.9 -41.0 99.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.579 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -63.6 -40.31 96.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.188 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -62.19 -53.65 52.24 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.114 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -64.26 -38.58 91.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.945 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -59.85 -48.76 80.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.243 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.91 73.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.5 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -60.0 -50.12 75.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.533 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -66.62 -42.03 87.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.383 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -62.39 -43.44 98.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.007 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.03 -49.87 75.66 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.547 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 21.4 m -71.26 -42.8 68.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.578 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -57.53 -49.54 75.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.617 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.22 -44.0 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.3 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -61.62 -43.74 98.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.694 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -62.56 -41.24 98.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.574 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 160' ' ' GLU . 87.8 m -60.92 -44.68 96.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.897 0.38 . . . . 0.0 110.442 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.41 -38.38 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.45 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -57.03 -40.66 77.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.646 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -90.55 5.91 45.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.547 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 71.55 12.42 73.56 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 155' ' ' CYS . 96.9 mt-10 -87.07 148.35 25.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.607 0.242 . . . . 0.0 110.417 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.3 m -95.9 124.15 53.22 Favored Pre-proline 0 CA--C 1.54 0.574 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.723 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.6 162.04 40.72 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.036 1.824 . . . . 0.0 112.296 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.11 179.474 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.574 ' CD1' ' NH2' ' A' ' 39' ' ' ARG . 46.4 mt . . . . . 0 CA--C 1.529 0.143 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.83 150.92 93.96 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.924 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.26 151.66 76.41 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.528 2.152 . . . . 0.0 111.379 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.455 ' CD1' ' NE2' ' A' ' 66' ' ' GLN . 6.8 mp -106.43 154.7 39.7 Favored Pre-proline 0 N--CA 1.469 0.5 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -67.34 167.93 19.16 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.552 2.168 . . . . 0.0 111.349 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -44.94 133.95 10.79 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.972 1.781 . . . . 0.0 111.797 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.24 118.44 72.48 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.413 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -54.62 153.61 23.15 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 121.793 1.662 . . . . 0.0 112.72 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.13 96.26 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.521 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.416 ' H ' ' HG2' ' A' ' 13' ' ' GLN . 10.6 pt20 -64.37 -17.96 64.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.677 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.424 ' CD2' HD11 ' A' ' 17' ' ' ILE . 3.9 m-30 -97.35 5.57 49.65 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.675 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -58.06 -26.85 63.03 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -66.55 -48.17 70.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.739 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.424 HD11 ' CD2' ' A' ' 14' ' ' PHE . 31.4 pt -85.8 -1.97 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.091 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -53.16 -42.11 65.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.97 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -65.55 -38.57 90.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.236 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -59.86 -61.69 2.43 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -36.11 76.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.516 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -58.88 -45.79 89.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.922 0.391 . . . . 0.0 110.621 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.2 m -63.79 -42.42 97.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.214 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.21 93.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.265 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -58.47 -44.22 89.23 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -70.3 -50.19 41.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' ASP . 13.5 m80 -61.64 -37.14 82.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.316 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -43.89 -39.64 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.675 0.274 . . . . 0.0 110.433 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -66.75 -40.66 88.37 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.675 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.401 ' HG3' HH11 ' A' ' 30' ' ' ARG . 27.7 mtt85 -86.85 -54.05 4.57 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' HIS . 17.8 t0 -127.56 106.02 21.11 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-O 119.723 -0.179 . . . . 0.0 110.999 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.35 -30.65 19.24 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.272 1.315 . . . . 0.0 112.036 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.6 -46.5 94.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.417 HG23 ' CG ' ' A' ' 31' ' ' ASP . 70.3 t -63.03 -45.09 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.408 ' HB1' ' NH1' ' A' ' 39' ' ' ARG . . . -62.29 -38.02 87.77 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.599 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -57.19 -52.77 63.98 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.958 0.408 . . . . 0.0 110.521 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -67.47 -36.66 81.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.06 0.457 . . . . 0.0 110.237 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.3 t -56.94 -44.44 82.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.985 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.574 ' NH2' ' CD1' ' A' ' 4' ' ' LEU . 84.3 mtt85 -63.64 -41.84 98.2 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.403 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.6 tp -50.14 -48.45 53.74 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.247 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -63.25 -44.31 95.55 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.168 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.38 -37.71 78.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.877 0.37 . . . . 0.0 110.427 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.517 ' O ' ' SD ' ' A' ' 47' ' ' MET . 39.0 mtt -61.23 -62.69 1.66 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.19 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -44.15 -44.58 7.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.556 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.3 p -69.4 -35.41 75.74 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.834 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.84 -54.17 29.89 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.153 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -65.86 -37.5 86.34 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.568 0.223 . . . . 0.0 110.784 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -54.56 -47.22 73.52 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.0 mt -72.6 -70.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.523 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.457 ' OD2' ' SG ' ' A' ' 56' ' ' CYS . 28.3 t70 -108.26 113.99 27.52 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.211 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 50' ' ' ASP . 51.1 m -56.05 -108.18 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.533 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -127.46 97.55 4.92 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.535 HG22 ' H ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -106.78 160.26 26.95 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -42.66 -50.45 5.88 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 122.296 1.998 . . . . 0.0 113.517 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.59 -61.93 1.63 Allowed 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.394 0.616 . . . . 0.0 111.066 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.535 ' H ' HG22 ' A' ' 53' ' ' THR . 61.7 m -49.28 -23.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.155 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -50.7 -58.17 6.53 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 121.211 0.529 . . . . 0.0 110.215 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.14 -41.0 91.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.581 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -59.34 -48.39 81.8 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.398 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.62 -41.91 98.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.383 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.4 t -60.67 -45.67 93.24 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.725 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -63.91 -42.5 97.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.414 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.98 -44.13 97.39 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.362 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -40.39 96.17 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.943 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -62.55 -40.93 98.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.614 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.455 ' NE2' ' CD1' ' A' ' 7' ' ' LEU . 55.3 mt-30 -60.25 -44.9 94.86 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.36 -43.93 97.66 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.377 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -36.56 83.59 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.42 -49.69 66.79 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.216 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 70' ' ' LEU . 84.0 mt -63.41 -41.65 98.72 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.901 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -59.62 -47.46 85.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.195 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -69.38 -32.51 71.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.309 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -58.15 -55.94 28.44 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.5 mt -78.02 -42.43 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.77 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.6 -99.8 2.01 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -96.49 89.1 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.693 0.282 . . . . 0.0 110.767 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -126.61 127.38 45.15 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.449 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -50.87 -39.3 53.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.296 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.1 -36.2 74.74 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.728 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.4 mm -89.17 -48.66 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.486 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.2 p -65.14 -43.06 93.12 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.687 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -104.58 115.35 30.19 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.329 0.585 . . . . 0.0 110.712 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.4 ' C ' ' OE1' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -67.98 -37.12 81.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.652 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 pt -56.69 -42.21 76.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.4 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.04 -46.58 93.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 0.0 110.098 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.36 -36.05 92.89 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 49.9 t -65.49 -44.1 88.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.723 0.296 . . . . 0.0 110.772 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.69 95.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.745 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -64.59 -45.6 86.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.64 -44.25 96.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.403 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -63.06 -42.51 99.72 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -63.88 -38.79 92.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.644 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -49.77 76.46 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.682 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.37 -36.72 78.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -62.63 -44.45 96.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.383 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -62.58 -46.84 86.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.904 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 70.6 mtm -66.32 -39.82 89.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.6 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.604 ' CG ' ' NE2' ' A' ' 141' ' ' HIS . 63.3 t80 -59.89 -45.03 93.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.649 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.9 mt -62.77 -40.34 97.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.687 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.24 -46.83 82.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.308 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.38 96.73 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.869 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.35 -43.5 98.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.89 0.376 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -63.5 -40.61 97.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.39 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -60.82 -42.74 98.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.191 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -59.5 -43.0 93.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.057 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -38.76 92.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.349 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.79 -26.11 68.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.348 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.53 ' O ' ' CE2' ' A' ' 110' ' ' PHE . . . 97.38 -7.49 63.93 Favored Glycine 0 N--CA 1.465 0.585 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -84.17 134.55 34.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' A' ' 108' ' ' GLY . 13.5 m-85 -123.89 133.76 53.68 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -148.12 173.5 12.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.344 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -64.18 -18.41 64.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.371 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -63.19 -36.87 85.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.801 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.476 ' O ' ' CD2' ' A' ' 118' ' ' PHE . 61.5 mtp -56.41 -50.35 71.87 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.068 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.7 mm -65.06 -43.68 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.388 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -62.55 -40.66 97.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.346 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 82.7 p -59.67 -48.01 83.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.662 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.476 ' CD2' ' O ' ' A' ' 114' ' ' MET . 52.7 m-85 -66.72 -43.93 82.96 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.679 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -61.71 -48.36 81.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.129 0.49 . . . . 0.0 110.284 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 97.9 m -63.96 -43.73 94.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.56 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.28 -43.77 71.34 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.07 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.2 t -62.17 -42.17 99.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.661 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.8 mp -59.52 -47.44 85.53 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.591 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.07 -40.46 97.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.397 0.617 . . . . 0.0 110.216 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 53.1 mt -58.88 -43.51 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 C-N-CA 120.346 -0.542 . . . . 0.0 109.541 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -59.0 -42.63 90.54 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 121.547 0.689 . . . . 0.0 109.926 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.656 ' O ' HG22 ' A' ' 130' ' ' VAL . 94.2 t -56.66 -31.51 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.599 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 82.5 mt -72.19 -38.24 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.908 0.385 . . . . 0.0 110.924 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.555 HG22 HD21 ' A' ' 134' ' ' LEU . 30.4 p -60.03 -29.61 68.63 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.101 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 127' ' ' VAL . 2.8 m -52.88 -27.07 12.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.925 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -68.39 -12.97 61.94 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.601 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.92 12.81 84.05 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -124.59 86.0 2.5 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.555 HD21 HG22 ' A' ' 129' ' ' THR . 4.4 mt -97.08 138.06 35.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.073 0.463 . . . . 0.0 110.957 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.496 HG23 ' H ' ' A' ' 138' ' ' ASN . 0.2 OUTLIER -103.28 162.28 13.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.336 178.172 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.59 -36.83 81.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.349 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 137' ' ' GLU . 12.2 mp0 -61.59 -47.27 86.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.34 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.496 ' H ' HG23 ' A' ' 135' ' ' THR . 9.1 m-20 -61.64 -46.86 87.95 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.444 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.59 -47.93 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.398 0.618 . . . . 0.0 109.723 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -63.92 -42.22 97.45 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.568 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.604 ' NE2' ' CG ' ' A' ' 98' ' ' PHE . 62.9 t-80 -61.54 -43.7 98.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.022 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.63 HH21 ' NZ ' ' A' ' 143' ' ' LYS . 56.2 ttp180 -59.41 -45.22 92.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.592 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.63 ' NZ ' HH21 ' A' ' 142' ' ' ARG . 41.3 mmtm -63.11 -42.5 99.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.695 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -60.28 -47.76 84.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.343 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.4 87.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.212 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -54.44 45.64 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.754 0.312 . . . . 0.0 111.296 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' TRP . . . . . 0.411 ' CD1' ' N ' ' A' ' 147' ' ' TRP . 20.0 m0 -66.75 -39.8 88.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.907 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.75 -44.23 96.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.645 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.89 75.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.759 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 97.5 m -64.3 -43.9 93.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.537 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -58.55 -51.07 71.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.739 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.87 -43.17 93.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.454 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -56.39 -49.22 75.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.985 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -65.02 -39.3 93.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.496 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 45.1 t -56.99 -51.9 67.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.034 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.84 -36.09 82.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.456 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -55.19 -41.66 72.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.581 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -89.99 6.53 41.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.506 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.13 43.51 93.07 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -112.7 153.99 26.84 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.756 0.313 . . . . 0.0 110.448 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 18.3 m -88.36 118.9 69.99 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.515 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.31 165.99 29.74 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 121.894 1.729 . . . . 0.0 112.469 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.455 179.643 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.9 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.798 0.332 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.63 146.8 85.07 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.691 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -71.46 152.17 60.01 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.396 2.064 . . . . 0.0 111.496 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.4 mt -112.98 146.55 35.35 Favored Pre-proline 0 N--CA 1.469 0.502 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -70.77 167.28 26.21 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.055 1.837 . . . . 0.0 112.027 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -44.96 133.4 10.92 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.162 1.908 . . . . 0.0 111.695 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tt -71.98 116.73 51.43 Favored Pre-proline 0 CA--C 1.544 0.726 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.574 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -58.18 150.55 65.19 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.03 1.82 . . . . 0.0 112.195 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.27 -22.45 61.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.578 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -60.53 -38.92 86.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -95.6 21.47 8.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.227 0.537 . . . . 0.0 110.71 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -62.12 -33.64 74.85 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.86 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 t -64.96 -46.52 81.17 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.359 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.3 pt -90.08 18.15 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.84 -44.83 93.88 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.372 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -66.85 -38.98 87.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.007 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -54.4 -64.81 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.358 . . . . 0.0 111.593 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -41.04 97.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.283 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -57.63 -43.1 84.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.431 HG22 ' ND1' ' A' ' 27' ' ' HIS . 19.6 m -61.03 -43.14 99.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.028 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.23 91.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.591 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.4 ' HG2' HH21 ' A' ' 39' ' ' ARG . 22.6 mm100 -57.07 -46.2 82.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.936 0.398 . . . . 0.0 110.398 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -70.17 -45.19 67.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.434 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.431 ' ND1' HG22 ' A' ' 23' ' ' THR . 32.5 m80 -67.81 -17.75 64.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.259 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -50.46 -27.25 6.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.355 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -97.31 -48.29 5.38 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.324 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -65.92 -43.7 87.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.734 0.302 . . . . 0.0 110.919 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -148.82 87.02 5.58 Favored Pre-proline 0 C--O 1.238 0.448 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.683 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.63 -35.87 79.12 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.727 2.285 . . . . 0.0 112.174 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.81 -45.38 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.528 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.61 -44.4 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.731 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.72 84.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.461 ' CE2' HD11 ' A' ' 67' ' ' LEU . 49.4 t80 -51.39 -56.96 10.34 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.671 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -63.32 -46.99 84.09 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.125 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.5 t -56.75 -38.45 72.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.406 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.614 HH11 ' CD1' ' A' ' 63' ' ' LEU . 3.6 mmt180 -63.69 -41.03 98.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.439 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.57 -44.57 89.8 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.399 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -60.97 -48.83 79.98 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.615 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.08 94.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.95 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.634 ' SD ' HD23 ' A' ' 67' ' ' LEU . 17.6 mtp -62.54 -44.25 96.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -55.61 -47.63 76.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.518 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.0 m -63.38 -43.18 98.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.55 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.03 -57.89 11.9 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.429 -0.669 . . . . 0.0 111.429 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 21.7 ptp -62.51 -34.17 76.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.439 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -60.64 -48.89 79.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 86.3 mt -65.58 -48.79 81.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.859 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 21.0 p30 -146.72 123.07 10.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.466 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 p -49.34 -98.18 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.726 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.71 108.07 4.26 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.492 HG22 ' H ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -89.36 163.98 31.7 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.675 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.53 -47.97 18.82 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.12 1.88 . . . . 0.0 113.347 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.417 ' H ' HG23 ' A' ' 53' ' ' THR . 77.3 tt0 -78.85 -63.54 1.39 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.07 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.492 ' H ' HG22 ' A' ' 53' ' ' THR . 9.1 t -43.2 -24.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.796 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -42.6 -42.6 3.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.75 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -64.08 -41.84 97.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.692 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -59.47 -52.07 67.18 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.493 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.84 -42.65 94.74 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.475 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.8 t -59.74 -55.0 39.82 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.257 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -66.07 -39.44 90.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.154 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.614 ' CD1' HH11 ' A' ' 39' ' ' ARG . 45.8 tp -60.82 -43.05 98.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.09 0.471 . . . . 0.0 110.47 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.1 mmt -64.05 -38.71 92.06 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.054 0.454 . . . . 0.0 110.162 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.22 -34.9 77.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.649 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.15 -36.68 82.36 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.496 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.634 HD23 ' SD ' ' A' ' 43' ' ' MET . 0.3 OUTLIER -60.89 -57.62 11.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.177 0.513 . . . . 0.0 111.102 -179.144 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -62.24 -31.11 71.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.877 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.58 79.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.475 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.0 mt -63.43 -42.12 98.7 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.303 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.22 -47.4 84.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.396 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -67.4 -33.79 75.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.661 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -59.0 -53.96 52.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.754 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.09 -44.22 66.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.641 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.29 -100.97 1.44 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -92.12 88.47 6.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.824 0.345 . . . . 0.0 111.212 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -124.11 131.58 53.56 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.15 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.33 -39.62 95.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.114 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.59 -24.51 66.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mm -90.5 -40.04 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.714 0.292 . . . . 0.0 110.628 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.1 p -76.99 -54.87 6.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.972 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -83.2 121.33 26.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 111.066 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.594 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 2.0 pm0 -72.14 -38.62 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.944 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.414 HG13 ' H ' ' A' ' 85' ' ' VAL . 2.5 pt -60.58 -43.64 95.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.55 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.414 ' H ' HG13 ' A' ' 84' ' ' ILE . 94.8 t -65.06 -44.74 95.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.35 -39.56 97.92 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.294 -1.123 . . . . 0.0 110.294 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 97.6 m -62.46 -38.79 91.16 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.301 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.54 -40.04 95.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.745 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.467 ' NE2' ' CE1' ' A' ' 93' ' ' TYR . 28.2 t60 -61.0 -46.08 92.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.627 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.59 -43.07 98.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.607 ' OE2' HD23 ' A' ' 95' ' ' LEU . 2.5 tm-20 -65.64 -38.47 89.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.954 0.407 . . . . 0.0 109.91 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -62.88 -39.79 95.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.424 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.467 ' CE1' ' NE2' ' A' ' 89' ' ' HIS . 2.0 m-85 -61.52 -44.55 96.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.729 0.299 . . . . 0.0 110.475 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.67 -46.67 83.96 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.342 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.607 HD23 ' OE2' ' A' ' 91' ' ' GLU . 3.7 mm? -64.0 -40.15 95.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.078 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -56.65 -49.09 76.05 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.493 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 66.3 mtm -68.22 -36.42 79.49 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.542 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.447 ' CD2' ' ND1' ' A' ' 141' ' ' HIS . 37.9 t80 -58.78 -49.54 77.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.3 mt -66.64 -40.03 88.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -58.14 -47.28 83.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.516 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.484 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -64.89 -43.78 91.78 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.077 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -59.85 -43.34 94.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.793 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -62.99 -42.54 99.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.509 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.37 -38.97 88.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.575 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -62.49 -46.48 88.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.746 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -28.51 69.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.79 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.9 -11.32 46.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.4 -14.58 60.74 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -76.86 135.81 38.86 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -129.49 131.81 46.76 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.472 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -151.44 -178.17 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.422 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -81.09 -18.86 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.542 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -64.34 -42.42 96.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.435 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 115' ' ' ILE . 11.8 ptm -61.63 -41.2 97.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.974 0.416 . . . . 0.0 110.923 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.428 ' N ' ' CG ' ' A' ' 114' ' ' MET . 95.8 mt -63.37 -43.58 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.919 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -62.82 -37.19 85.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.047 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.1 m -58.57 -45.69 88.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.176 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.484 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 46.5 m-85 -64.53 -43.48 93.89 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.964 0.411 . . . . 0.0 110.331 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -61.34 -43.51 98.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.864 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.9 m -61.67 -42.84 99.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.111 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -53.0 -50.13 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.118 0.485 . . . . 0.0 110.093 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m -59.31 -34.16 71.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.332 0.587 . . . . 0.0 109.959 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.36 -40.0 94.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.234 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 124' ' ' LEU . 0.5 OUTLIER -61.14 -40.07 92.44 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.64 179.466 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 129' ' ' THR . 37.5 mm -58.04 -45.69 88.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.64 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.472 ' O ' ' OG1' ' A' ' 129' ' ' THR . 97.8 m-20 -55.25 -48.82 73.4 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-O 121.453 0.644 . . . . 0.0 110.517 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.619 ' O ' HG22 ' A' ' 130' ' ' VAL . 47.7 t -58.32 -28.37 35.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.949 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.9 mt -83.4 -32.74 9.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.757 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 38.5 p -60.4 -25.89 66.25 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.18 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 127' ' ' VAL . 10.9 m -52.8 -34.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.305 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -67.96 -38.49 82.83 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.88 0.372 . . . . 0.0 111.115 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 103.24 -11.97 55.11 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.431 ' O ' HD22 ' A' ' 134' ' ' LEU . 95.2 mt-10 -91.69 104.45 16.91 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 122.752 -0.263 . . . . 0.0 110.543 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.431 HD22 ' O ' ' A' ' 133' ' ' GLU . 0.9 OUTLIER -125.82 119.13 27.06 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.389 0.614 . . . . 0.0 110.274 179.37 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.5 HG23 ' H ' ' A' ' 138' ' ' ASN . 1.2 t -92.47 165.96 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.813 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.78 -41.16 94.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.983 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -56.66 -48.08 78.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.366 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.5 ' H ' HG23 ' A' ' 135' ' ' THR . 86.9 m-20 -61.22 -40.66 94.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.976 0.417 . . . . 0.0 110.488 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.37 -40.92 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.242 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -58.14 -43.49 87.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.543 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.447 ' ND1' ' CD2' ' A' ' 98' ' ' PHE . 18.1 m-70 -62.96 -43.57 98.42 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 44.5 ttp85 -60.54 -48.02 83.59 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.016 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -67.44 -44.55 78.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.853 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 144' ' ' TYR . 29.7 t80 -60.21 -45.46 93.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.335 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.36 77.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.997 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -64.14 -38.23 90.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -68.39 -54.82 14.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.679 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -67.34 -38.46 84.89 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.916 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.64 -51.25 70.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.838 0.351 . . . . 0.0 110.363 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.1 m -65.26 -41.55 94.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.509 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.457 ' CE1' ' SG ' ' A' ' 155' ' ' CYS . 33.1 t80 -56.72 -47.86 79.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.13 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 86.6 mt -64.38 -43.97 97.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.523 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -58.73 -49.6 77.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.021 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -62.67 -43.94 97.52 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.935 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' CYS . . . . . 0.457 ' SG ' ' CE1' ' A' ' 151' ' ' TYR . 84.8 m -65.22 -50.64 65.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 156' ' ' LEU . 10.8 tp -64.24 -35.37 80.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.838 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -57.39 -42.0 81.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.267 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -82.59 8.1 12.8 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.461 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 69.13 24.08 76.01 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -105.73 143.02 34.47 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 110.482 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 96.9 m -79.46 118.38 72.13 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.376 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -68.83 159.36 54.12 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 121.387 1.391 . . . . 0.0 112.735 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.175 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--O 1.23 0.06 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.01 161.46 24.76 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -51.98 158.68 4.58 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 122.344 2.029 . . . . 0.0 111.808 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.2 mt -111.65 155.74 42.56 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.4 163.99 7.68 Favored 'Trans proline' 0 N--CA 1.507 2.293 0 C-N-CA 122.272 1.982 . . . . 0.0 111.654 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.06 127.48 19.64 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.482 2.121 . . . . 0.0 111.898 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.5 tp -47.78 111.6 1.78 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.8 146.63 65.87 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 121.473 1.449 . . . . 0.0 111.732 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.31 93.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.005 0.431 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.615 ' CD ' ' H ' ' A' ' 13' ' ' GLN . 5.3 pm0 -66.56 -31.82 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.451 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -85.9 15.63 4.76 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.456 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -57.53 -31.85 66.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.841 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.6 m -59.79 -42.23 92.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.237 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.5 pt -92.74 18.04 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.111 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -54.96 -56.33 20.86 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 120.828 0.347 . . . . 0.0 110.517 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -68.82 -28.72 67.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.362 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -58.72 -63.86 1.14 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.181 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.85 -39.38 94.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.872 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -59.49 -43.62 93.28 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.498 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.3 m -61.44 -41.97 98.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.028 0.442 . . . . 0.0 110.096 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.5 -38.21 90.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.779 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -59.56 -51.59 69.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.266 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.69 -37.54 86.76 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.329 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -65.04 -31.86 73.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.13 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -47.3 -32.52 4.78 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.421 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -80.27 -49.7 11.22 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.842 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -68.77 -41.75 78.39 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.302 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -154.46 121.53 2.84 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -75.15 -30.78 6.6 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 121.969 1.779 . . . . 0.0 112.637 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.4 t -62.4 -44.85 99.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.799 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.4 t -60.83 -45.12 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.075 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.77 85.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -53.17 -58.3 7.53 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.942 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -63.31 -46.0 88.75 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.065 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.7 t -58.07 -42.83 86.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.084 0.468 . . . . 0.0 110.207 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.687 HH11 HD11 ' A' ' 63' ' ' LEU . 53.7 ttm-85 -61.42 -41.48 97.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.43 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.2 tp -55.39 -44.34 76.04 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.022 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 35.2 t80 -60.0 -48.25 82.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.415 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.59 83.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.938 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.6 mtp -63.09 -64.29 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.655 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -59.53 -39.9 85.45 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.33 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.9 m -61.48 -52.08 66.02 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.81 -35.71 91.25 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 18.5 ttp -63.28 -41.13 98.96 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 120.857 0.361 . . . . 0.0 110.499 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.5 -40.44 91.36 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.357 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.3 mm -41.49 -87.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.821 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -100.63 -115.48 0.17 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.645 0.26 . . . . 0.0 110.443 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.3 m -155.67 -117.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.892 0.377 . . . . 0.0 110.152 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -137.96 96.85 3.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.141 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -106.81 154.46 40.15 Favored Pre-proline 0 N--CA 1.468 0.472 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.047 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -34.18 -30.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.818 2.345 . . . . 0.0 112.247 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' THR . 1.5 tm-20 -84.9 -60.92 1.91 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.446 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.419 ' H ' HG23 ' A' ' 53' ' ' THR . 9.1 t -62.73 -24.23 67.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -42.58 -54.23 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.233 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -64.58 -39.16 93.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.47 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -59.17 -54.69 44.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.506 ' O ' ' SD ' ' A' ' 64' ' ' MET . 80.4 mt -68.34 -43.09 78.24 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.475 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.1 t -61.54 -50.4 72.83 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.064 0.459 . . . . 0.0 111.209 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -65.3 -42.97 92.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.687 HD11 HH11 ' A' ' 39' ' ' ARG . 37.4 tp -62.83 -38.83 92.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.307 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -59.93 -44.01 94.6 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.885 0.374 . . . . 0.0 110.61 178.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.43 -38.76 90.97 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.544 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.02 -45.31 87.13 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.842 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.12 -42.35 98.37 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.285 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -61.73 -37.84 85.7 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.08 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.18 80.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.687 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.3 mt -62.98 -41.96 99.71 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.306 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -61.84 -49.25 77.01 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.389 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -66.1 -40.7 90.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.095 0.474 . . . . 0.0 110.544 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -54.0 -53.75 48.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.522 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.414 HD22 ' OD1' ' A' ' 77' ' ' ASN . 85.7 mt -71.86 -43.36 65.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.997 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.76 -94.94 0.14 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 28.5 p-10 -90.04 84.06 6.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.84 0.353 . . . . 0.0 111.422 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.414 ' OD1' HD22 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -122.77 136.29 54.82 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.238 179.126 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 82' ' ' GLN . 84.4 mt-10 -63.72 -43.98 94.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.739 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.56 95.15 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.838 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.6 mm -70.74 -43.69 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.794 0.331 . . . . 0.0 110.79 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 59.0 p -81.36 -63.58 1.37 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.75 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 78' ' ' GLU . 62.4 mt-30 -76.18 117.26 17.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.023 0.44 . . . . 0.0 110.176 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.598 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -68.22 -40.7 82.03 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.645 -179.505 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.4 HG13 ' H ' ' A' ' 85' ' ' VAL . 3.7 pt -56.19 -42.85 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.469 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.4 ' H ' HG13 ' A' ' 84' ' ' ILE . 96.1 t -65.61 -44.74 93.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.82 0.343 . . . . 0.0 110.505 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.53 -42.83 99.66 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.62 -40.78 84.64 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.67 84.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.331 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -61.9 -50.65 71.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.638 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.74 -42.96 97.79 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.449 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -56.65 -46.33 81.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.932 0.396 . . . . 0.0 110.489 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.91 -39.08 87.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.321 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -47.34 86.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.63 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.93 89.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.16 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.96 -43.83 98.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.469 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.88 -48.17 83.04 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.344 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 69.4 mtm -69.63 -40.09 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.196 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -60.88 -46.52 90.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.678 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.3 -38.17 89.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.416 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -56.66 -49.45 75.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.434 ' HB3' ' CE1' ' A' ' 118' ' ' PHE . . . -65.78 -47.92 73.54 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.417 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -58.1 -41.61 83.88 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.352 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -62.55 -41.68 99.05 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.687 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -68.28 -35.05 77.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.029 0.442 . . . . 0.0 110.281 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.34 -49.42 77.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.558 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -67.52 -26.8 66.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.567 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.95 -22.21 66.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.64 30.71 11.25 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -132.49 140.68 48.46 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.79 0.328 . . . . 0.0 110.525 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -123.77 135.36 53.77 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.453 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -146.83 158.47 43.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.203 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -61.52 -26.28 67.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.402 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -61.01 -33.99 74.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.376 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 88.9 mtp -61.47 -44.84 96.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.809 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.77 -44.58 89.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.938 0.399 . . . . 0.0 110.441 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -64.27 -40.8 96.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.276 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.4 t -61.56 -44.82 96.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.301 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.434 ' CE1' ' HB3' ' A' ' 101' ' ' ALA . 1.1 m-85 -64.96 -42.36 94.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.802 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -60.98 -45.63 94.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.164 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.2 m -62.08 -43.06 99.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.821 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.74 -49.91 71.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.682 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.5 t -58.6 -40.27 82.77 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.113 0.482 . . . . 0.0 111.097 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.95 -40.86 90.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.293 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.7 tp -62.37 -40.8 97.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.626 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.474 ' O ' HG23 ' A' ' 129' ' ' THR . 49.5 mm -53.71 -46.85 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.078 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -55.75 -46.03 77.92 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.261 0.553 . . . . 0.0 109.817 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.619 ' O ' HG22 ' A' ' 130' ' ' VAL . 63.5 t -59.49 -26.71 35.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.372 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 98.6 mt -83.05 -29.99 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 120.951 0.405 . . . . 0.0 110.498 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.608 HG22 HD11 ' A' ' 134' ' ' LEU . 73.1 p -65.85 -30.42 71.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.747 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 127' ' ' VAL . 4.0 m -52.82 -22.76 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.828 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -63.14 -29.87 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.57 -15.57 55.74 Favored Glycine 0 N--CA 1.465 0.604 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -116.18 122.81 46.15 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.608 HD11 HG22 ' A' ' 129' ' ' THR . 1.6 mt -120.31 145.22 47.32 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.051 0.453 . . . . 0.0 110.289 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.454 HG23 ' H ' ' A' ' 138' ' ' ASN . 1.2 t -104.08 160.55 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.537 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -61.59 -41.9 98.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.525 ' O ' ' ND1' ' A' ' 141' ' ' HIS . 93.4 mt-10 -55.42 -49.9 71.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.454 ' H ' HG23 ' A' ' 135' ' ' THR . 98.3 m-20 -64.95 -40.85 95.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 43.6 t -60.93 -47.02 95.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 120.965 0.412 . . . . 0.0 110.002 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -64.77 -44.05 91.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.804 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 137' ' ' GLU . 2.3 m80 -59.7 -38.19 80.92 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -61.54 -54.71 39.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.992 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -67.29 -42.28 84.04 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.928 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.45 -44.71 95.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.42 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.573 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -49.69 75.89 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 111.104 -179.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -72.23 -45.09 61.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.053 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -59.18 -45.97 89.64 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.03 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.35 -53.16 60.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 0.0 111.082 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.6 m -64.23 -41.65 96.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.482 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 80.9 t80 -57.75 -47.71 81.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.855 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.77 -43.09 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.96 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -49.0 77.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.696 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -65.7 -39.78 91.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.694 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 89.8 m -59.24 -48.1 82.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.202 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.57 -40.63 97.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.394 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -58.62 -45.33 89.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.974 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -74.83 -15.71 60.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.814 0.34 . . . . 0.0 110.777 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 89.48 12.4 62.92 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -88.11 143.75 26.89 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.158 0.504 . . . . 0.0 110.285 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.6 p -79.75 116.48 61.29 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.748 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -52.34 152.9 14.41 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.865 1.71 . . . . 0.0 112.505 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.214 179.578 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 ptm . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.32 142.35 56.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.507 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.14 153.55 29.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.469 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.0 mt -122.21 141.1 51.82 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.468 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.54 153.83 3.65 Favored Pre-proline 0 N--CA 1.445 -0.716 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.655 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.449 ' C ' HD22 ' A' ' 7' ' ' LEU . 34.8 Cg_exo -59.62 147.57 91.28 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 123.041 2.494 . . . . 0.0 112.244 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.849 HD22 ' N ' ' A' ' 7' ' ' LEU . 2.2 mm? -98.35 141.45 22.97 Favored Pre-proline 0 N--CA 1.449 -0.521 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.145 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.8 173.35 0.55 Allowed 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.541 2.16 . . . . 0.0 112.118 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -53.85 135.91 64.38 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.665 2.243 . . . . 0.0 112.177 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tt -92.76 111.83 52.95 Favored Pre-proline 0 N--CA 1.444 -0.739 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.92 164.54 35.29 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.706 2.27 . . . . 0.0 112.146 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.65 -20.33 63.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -60.25 -40.34 89.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.976 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.46 ' CZ ' ' OD2' ' A' ' 50' ' ' ASP . 48.5 m-85 -99.12 18.59 17.03 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.109 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -65.83 -30.47 71.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.999 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 t -66.85 -34.17 77.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.631 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.0 pt -100.86 2.83 10.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.722 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -54.55 -41.08 69.33 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.637 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -63.64 -34.1 77.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.901 0.382 . . . . 0.0 110.561 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.414 ' CD2' ' CE2' ' A' ' 41' ' ' TYR . 76.1 m80 -66.51 -63.82 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.323 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 22' ' ' ARG . 3.2 pp -58.29 -33.77 69.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.338 -179.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.557 ' N ' HD12 ' A' ' 21' ' ' LEU . 65.1 ttt-85 -60.7 -47.53 85.84 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.357 0.599 . . . . 0.0 110.27 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.404 HG22 ' HD1' ' A' ' 27' ' ' HIS . 6.5 m -63.5 -38.11 89.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.019 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.56 81.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.456 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.477 ' CD ' HH22 ' A' ' 39' ' ' ARG . 9.0 mm100 -57.59 -36.69 72.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.115 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -69.93 -42.91 72.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.07 0.462 . . . . 0.0 110.736 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 30' ' ' ARG . 16.2 m80 -65.04 -32.86 74.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.618 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -42.59 -31.33 0.44 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.557 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -87.73 -28.09 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.677 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' HIS . 23.7 ttm180 -88.44 -52.8 4.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' HIS . 19.9 m-20 -151.98 126.1 4.45 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.762 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.55 -26.71 11.6 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.535 2.156 . . . . 0.0 112.159 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.7 -47.38 91.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.006 0.432 . . . . 0.0 110.768 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.6 t -60.67 -43.89 95.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.369 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.16 82.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.441 ' CD2' HD11 ' A' ' 67' ' ' LEU . 37.4 t80 -50.79 -53.59 30.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.37 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -64.46 -40.3 95.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.733 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.25 -48.04 83.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.477 HH22 ' CD ' ' A' ' 25' ' ' GLN . 79.1 mtt-85 -61.24 -34.8 75.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.485 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.16 -44.12 95.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.041 0.448 . . . . 0.0 110.512 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CE2' ' CD2' ' A' ' 20' ' ' HIS . 61.7 t80 -62.53 -43.98 97.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.671 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.05 94.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.6 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.573 ' SD ' ' SD ' ' A' ' 64' ' ' MET . 7.4 mtt -61.42 -47.16 87.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.038 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -55.95 -55.79 28.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.649 0.593 . . . . 0.0 110.691 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -64.08 -26.1 68.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.9 0.381 . . . . 0.0 110.423 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.468 ' O ' ' OD1' ' A' ' 50' ' ' ASP . . . -67.82 -54.56 17.75 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 20.1 ptp -60.99 -37.35 82.18 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.606 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -61.99 -44.82 95.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.722 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.9 mt -66.81 -45.53 87.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.494 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.468 ' OD1' ' O ' ' A' ' 46' ' ' GLY . 1.1 p30 -145.03 102.37 3.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.215 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.1 m -48.89 -91.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.551 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.586 ' HZ2' ' HB2' ' A' ' 52' ' ' LYS . 7.2 mtmp? -132.25 98.15 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.412 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.2 m -104.21 129.68 24.71 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -40.72 -30.99 0.6 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.62 2.213 . . . . 0.0 112.316 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -85.46 -60.22 2.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.555 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 57.7 m -61.37 -26.6 67.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.45 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -42.94 -39.38 2.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.565 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 58' ' ' LYS . 5.0 mptp? -63.28 -45.27 92.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.675 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -63.76 -43.21 97.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.326 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.541 ' O ' ' SD ' ' A' ' 64' ' ' MET . 63.2 mt -63.03 -46.0 89.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.349 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 p -58.99 -44.66 91.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.489 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -66.57 -46.77 74.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.904 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.28 -43.75 98.37 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.281 0.562 . . . . 0.0 110.915 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.573 ' SD ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -60.12 -41.34 92.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.19 179.753 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.72 -39.08 90.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.255 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -53.29 -48.1 68.64 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.516 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.441 HD11 ' CD2' ' A' ' 36' ' ' TYR . 21.1 tp -62.61 -42.02 99.34 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.184 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.3 -38.27 88.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.945 0.402 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.73 -46.03 91.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.648 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.06 -39.57 90.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -58.28 -48.75 79.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.496 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -73.94 -31.17 62.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.612 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -56.54 -43.95 80.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.59 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 mt -86.82 -47.23 9.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.696 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.58 -97.51 1.83 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -91.86 89.15 6.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.459 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -128.5 130.47 47.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.676 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -63.39 -38.93 93.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.603 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.1 -38.77 83.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.927 0.394 . . . . 0.0 110.585 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.7 mm -80.73 -49.24 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.8 p -67.6 -48.1 67.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -97.67 115.12 27.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.366 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.496 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 18.3 pt-20 -70.63 -36.62 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.844 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pt -57.81 -44.61 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.453 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.82 -45.24 99.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.104 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.87 -35.23 91.74 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.565 ' SG ' ' CZ ' ' A' ' 131' ' ' PHE . 70.7 m -63.92 -47.36 80.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.85 0.357 . . . . 0.0 110.592 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.05 85.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.473 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -62.67 -45.74 91.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.498 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.58 -44.67 95.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.739 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -58.26 -42.08 85.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.314 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -62.81 -39.61 94.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.447 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.32 -45.55 91.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.658 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.457 ' HB2' HD23 ' A' ' 124' ' ' LEU . . . -63.54 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.364 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 95' ' ' LEU . 1.9 mm? -63.1 -42.3 99.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.665 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -58.94 -47.18 85.98 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.595 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 77.0 mtm -67.87 -36.79 80.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.602 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -61.39 -47.88 83.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.163 0.506 . . . . 0.0 110.401 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.04 -42.02 97.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.474 ' CE2' ' OE1' ' A' ' 104' ' ' GLU . 78.9 t80 -53.97 -46.78 71.76 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.265 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.464 ' O ' ' SD ' ' A' ' 114' ' ' MET . . . -62.13 -45.14 94.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.734 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -62.57 -37.14 85.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.172 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.69 -41.33 97.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.424 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.474 ' OE1' ' CE2' ' A' ' 100' ' ' TYR . 45.1 mt-10 -65.36 -37.12 86.09 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.655 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.2 -44.16 96.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.615 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -62.08 -35.34 78.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.03 -13.5 58.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.533 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.1 26.93 57.06 Favored Glycine 0 CA--C 1.518 0.243 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -133.72 138.61 45.91 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.796 0.331 . . . . 0.0 110.256 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -124.17 136.88 54.5 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.973 0.415 . . . . 0.0 110.226 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -138.73 164.92 28.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.459 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -58.96 -19.12 40.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.544 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -66.02 -37.59 86.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.603 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.489 ' O ' ' OG ' ' A' ' 117' ' ' SER . 5.7 tpp -58.46 -46.76 85.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.615 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 62.7 mt -64.02 -44.41 97.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.33 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.94 -40.16 96.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' A' ' 114' ' ' MET . 62.8 p -62.14 -46.25 89.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.638 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -62.66 -42.27 99.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -62.58 -42.42 99.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.252 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 92.1 m -62.45 -42.66 99.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.277 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.7 89.29 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.383 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.0 t -58.26 -40.72 82.56 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.444 0.64 . . . . 0.0 110.262 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.29 -43.22 92.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.482 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' A' ' 94' ' ' ALA . 7.3 tp -62.44 -39.69 94.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.278 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 129' ' ' THR . 39.9 mm -54.06 -46.18 65.94 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.078 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.49 ' O ' ' OG1' ' A' ' 129' ' ' THR . 12.4 m-20 -57.71 -47.97 80.89 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.845 0.831 . . . . 0.0 110.343 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.635 ' O ' HG22 ' A' ' 130' ' ' VAL . 43.8 t -54.1 -27.28 16.2 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.085 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 97.8 mt -83.4 -33.82 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.25 0.548 . . . . 0.0 110.361 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 75.7 p -62.05 -23.71 66.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.916 0.389 . . . . 0.0 110.475 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 127' ' ' VAL . 10.2 m -53.86 -33.15 23.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.53 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.565 ' CZ ' ' SG ' ' A' ' 87' ' ' CYS . 57.9 m-85 -63.41 -6.01 4.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.49 2.05 78.61 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -126.07 138.57 53.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 134' ' ' LEU . 6.4 mt -127.23 140.83 51.96 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.968 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 10.6 p -90.14 160.96 15.99 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.36 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.9 -41.93 98.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.066 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -69.06 -38.11 78.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.599 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -59.28 -48.39 81.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.452 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.11 -44.29 95.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.342 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -62.9 -43.03 99.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.693 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.93 -42.08 93.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -57.09 -51.34 69.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.308 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -63.48 -43.31 97.64 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.418 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -60.56 -46.48 90.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.249 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.59 95.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.686 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -60.77 -45.1 95.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.481 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -68.64 -50.85 48.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.609 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -59.09 -45.57 90.52 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.924 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.16 78.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.341 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 25.3 m -70.09 -45.04 67.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -57.73 -48.69 78.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.472 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.5 -44.13 99.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.448 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -64.27 -44.1 92.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.396 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -64.37 -41.29 96.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.783 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 5.5 m -59.09 -47.77 84.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.428 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.76 -41.02 98.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.8 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -62.0 -39.26 91.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.511 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -80.24 -5.32 55.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.529 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 76.04 32.86 51.71 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -114.65 139.2 49.84 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.963 0.411 . . . . 0.0 110.498 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.88 118.76 71.02 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.58 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.75 151.17 15.58 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.611 2.207 . . . . 0.0 112.27 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' GLN . . . . . 0.522 ' O ' ' NE2' ' A' ' 163' ' ' GLN . 1.7 pm0 . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.485 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 mmm . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.41 158.89 15.23 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.42 154.29 34.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.355 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.502 ' CD1' HH22 ' A' ' 39' ' ' ARG . 4.9 mt -87.85 144.63 26.49 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.552 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.32 148.28 80.44 Favored Pre-proline 0 CA--C 1.537 0.478 0 C-N-CA 120.244 -0.583 . . . . 0.0 110.487 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.05 138.48 21.79 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.509 2.139 . . . . 0.0 112.577 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.425 HD11 ' CD ' ' A' ' 66' ' ' GLN . 6.2 mp -89.35 156.15 48.52 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.474 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -69.42 163.0 39.66 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.157 1.904 . . . . 0.0 112.101 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -50.28 128.14 22.0 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.427 2.085 . . . . 0.0 112.042 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.455 ' CD1' HD21 ' A' ' 21' ' ' LEU . 1.7 tt -78.41 116.63 60.76 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.91 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.39 157.95 48.82 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.39 2.06 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 -34.67 72.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.655 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -54.96 -18.92 5.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.512 ' HD2' HD11 ' A' ' 17' ' ' ILE . 16.2 m-85 -115.35 21.87 13.73 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.02 0.438 . . . . 0.0 110.628 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -13.14 62.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.5 m -72.46 -16.61 61.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.706 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.512 HD11 ' HD2' ' A' ' 14' ' ' PHE . 15.6 pt -126.91 23.02 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.049 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -61.55 -45.67 93.17 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -71.29 -32.09 68.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -60.07 -64.85 0.8 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.102 0.477 . . . . 0.0 111.105 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -59.33 -38.67 80.9 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.375 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -55.89 -42.17 75.54 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 m -61.98 -45.26 94.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.148 0.499 . . . . 0.0 109.909 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.91 78.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.844 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.471 ' O ' ' OD2' ' A' ' 28' ' ' ASP . 9.4 mm-40 -61.11 -45.93 92.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.855 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' A' ' 26' ' ' GLU . 19.2 pt-20 -78.07 -27.16 48.52 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.875 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -82.27 -16.96 47.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.455 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -47.12 -41.86 18.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.159 0.504 . . . . 0.0 110.462 -179.434 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -83.62 -43.2 15.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.517 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.23 -48.24 82.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.994 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -155.64 114.56 2.23 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.942 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.88 -30.63 16.78 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.215 1.944 . . . . 0.0 112.205 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.45 -45.26 96.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.489 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.4 t -64.23 -44.33 97.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.336 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.08 86.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 31.2 t80 -60.14 -50.89 71.92 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.911 0.386 . . . . 0.0 110.783 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -66.69 -42.54 86.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.794 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.6 m -59.33 -41.98 90.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.502 HH22 ' CD1' ' A' ' 4' ' ' LEU . 95.1 mtt180 -64.69 -36.7 85.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.468 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.8 tp -59.16 -49.22 78.69 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.675 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -62.37 -44.28 96.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.055 0.455 . . . . 0.0 110.825 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.23 78.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.058 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.574 ' SD ' ' SD ' ' A' ' 64' ' ' MET . 5.4 mtm -62.76 -58.29 7.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.537 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -42.72 -48.09 5.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.964 0.411 . . . . 0.0 110.545 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.6 m -65.84 -43.86 87.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.66 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -54.76 -60.45 8.67 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 23.2 ptp -55.74 -36.36 67.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.672 0.272 . . . . 0.0 110.399 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -56.7 -37.01 70.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.076 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.7 mt -75.6 -70.0 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.0 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -115.92 107.94 15.63 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.054 0.454 . . . . 0.0 109.885 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 p -54.15 -83.51 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.358 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -135.46 97.72 3.76 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -107.76 131.44 21.73 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.055 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -38.13 -35.87 0.45 Allowed 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.152 1.901 . . . . 0.0 112.66 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -86.32 -60.17 2.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 58.1 m -57.48 -29.05 63.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.605 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -42.49 -36.04 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.246 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -63.22 -49.58 73.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.61 -49.01 79.26 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.997 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.15 -42.51 98.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.778 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.4 t -63.74 -53.57 48.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.913 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -43.96 97.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.284 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.5 tp -61.22 -43.65 98.53 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 119.901 -0.719 . . . . 0.0 110.271 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.574 ' SD ' ' SD ' ' A' ' 43' ' ' MET . 8.4 mmt -63.83 -41.19 97.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.374 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 9.9 m-20 -65.11 -28.9 69.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.007 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.425 ' CD ' HD11 ' A' ' 7' ' ' LEU . 4.9 mt-30 -69.44 -43.17 73.86 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.078 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 tp -62.76 -45.02 94.61 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.983 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 0.8 OUTLIER -64.22 -29.83 70.91 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.02 0.438 . . . . 0.0 110.171 -179.599 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.01 -41.24 91.29 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.254 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.51 -41.1 98.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.951 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 75' ' ' GLY . 36.3 ttmt -60.68 -44.62 96.29 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.928 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -67.79 -35.66 79.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -57.85 -50.94 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.669 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.8 mt -89.16 -37.26 15.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.992 0.425 . . . . 0.0 110.728 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . 66.93 -93.06 0.21 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -95.91 87.46 4.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 110.887 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -115.21 143.24 45.55 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.031 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -60.15 -40.45 89.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.405 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.67 -41.71 71.71 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.247 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mm -68.91 -43.67 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.559 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.4 p -69.85 -45.37 67.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.029 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -102.95 115.97 31.63 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.255 0.55 . . . . 0.0 110.813 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.69 -34.21 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.535 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 pt -63.53 -42.71 97.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.537 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.99 -46.66 95.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.971 0.415 . . . . 0.0 110.112 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.17 -35.61 92.31 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.34 -49.54 75.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.814 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.21 82.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.533 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -59.75 -49.62 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.51 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.99 -44.63 95.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.988 0.423 . . . . 0.0 110.403 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.24 -46.09 76.02 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.617 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -61.17 -39.31 89.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.908 0.385 . . . . 0.0 110.438 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -51.72 68.62 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.091 0.472 . . . . 0.0 110.773 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.86 -36.11 74.05 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.45 -40.67 97.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.4 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -47.45 85.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -69.41 -37.56 77.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.752 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -58.44 -48.3 81.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.956 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.65 -40.95 93.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.843 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.48 -46.12 89.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.763 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.479 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -61.87 -46.25 90.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.056 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -62.28 -44.0 97.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.038 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -62.4 -43.73 98.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.01 0.434 . . . . 0.0 110.843 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.558 ' CD ' HD21 ' A' ' 113' ' ' ASN . 75.9 tt0 -62.32 -37.98 87.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.51 -47.3 84.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.774 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -67.95 -17.67 64.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.395 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 104' ' ' GLU . . . -62.42 -22.02 65.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.437 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 97.63 1.96 58.78 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -129.25 151.86 49.45 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.734 0.302 . . . . 0.0 110.196 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.514 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 0.5 OUTLIER -132.05 144.03 50.47 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.5 -179.072 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -146.86 160.9 41.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.231 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -55.73 -23.44 29.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.558 HD21 ' CD ' ' A' ' 104' ' ' GLU . 28.3 p-10 -60.26 -39.9 88.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.726 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.472 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 30.1 ttm -61.01 -42.66 98.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.686 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.66 -44.67 98.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.49 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -63.9 -38.81 92.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.4 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.4 t -62.09 -46.99 86.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.434 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.479 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 1.1 m-85 -67.34 -41.85 84.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.523 ' CE2' HD11 ' A' ' 123' ' ' LEU . 32.1 t80 -58.37 -42.09 86.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.047 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 35.6 m -63.91 -43.62 95.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.727 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.45 -48.14 79.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 125' ' ' ILE . 16.6 m -58.98 -42.71 90.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.954 0.406 . . . . 0.0 110.431 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 119' ' ' TYR . 74.0 mt -62.26 -44.94 95.39 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.976 0.417 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.9 tp -63.17 -39.51 94.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.313 0.577 . . . . 0.0 109.987 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 129' ' ' THR . 54.5 mt -56.86 -42.22 77.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.537 ' O ' ' OG1' ' A' ' 129' ' ' THR . 87.7 m-20 -60.8 -41.94 96.62 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 122.411 1.101 . . . . 0.0 109.328 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.741 ' O ' HG22 ' A' ' 130' ' ' VAL . 57.6 t -60.05 -25.9 34.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.742 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.22 -26.63 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 121.25 0.548 . . . . 0.0 110.684 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.556 ' HA ' HD23 ' A' ' 134' ' ' LEU . 41.1 p -66.13 -31.0 71.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.57 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 127' ' ' VAL . 16.6 m -54.24 -21.83 6.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.75 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -62.42 -43.24 99.3 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.399 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.31 -22.12 14.12 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 2.8 pm0 -111.3 117.65 33.73 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 120.772 0.32 . . . . 0.0 110.168 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -135.71 126.2 26.86 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.704 -179.579 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.448 ' H ' HG22 ' A' ' 135' ' ' THR . 0.5 OUTLIER -79.83 161.87 25.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.304 179.4 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 137' ' ' GLU . 18.3 p-10 -63.39 -46.14 87.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.745 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 136' ' ' ASP . 73.4 tt0 -46.62 -56.45 6.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.271 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -58.7 -40.71 84.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.383 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.38 -42.06 94.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.948 0.404 . . . . 0.0 110.2 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -58.55 -39.2 79.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.147 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -65.16 -38.88 91.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.575 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -57.68 -57.37 13.04 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -64.84 -38.66 91.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.017 0.437 . . . . 0.0 110.434 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -59.38 -46.25 89.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.428 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.55 -40.97 93.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.086 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -53.49 -45.71 69.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.905 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -75.0 -47.19 30.35 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.048 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -60.65 -47.27 87.01 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.16 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.39 -50.67 70.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.619 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 18.2 m -65.13 -43.21 92.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -57.41 -52.35 65.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.22 -44.34 95.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.669 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' HIS . . . . . 0.506 ' CD2' ' NZ ' ' A' ' 157' ' ' LYS . 85.7 t60 -56.28 -45.95 79.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.764 0.316 . . . . 0.0 110.785 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -65.39 -37.37 86.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 66.3 m -61.31 -51.11 70.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.222 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.37 -39.67 95.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.303 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.506 ' NZ ' ' CD2' ' A' ' 153' ' ' HIS . 3.6 ttpm? -62.33 -32.03 72.75 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.8 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -86.23 -11.94 51.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 83.25 25.87 46.24 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -112.69 141.49 46.42 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.064 0.459 . . . . 0.0 110.479 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 4.5 m -78.56 129.26 74.91 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.728 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.85 168.35 23.24 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.553 2.168 . . . . 0.0 112.3 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.21 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ptp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.58 139.84 35.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.309 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -133.15 145.85 51.04 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.278 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.5 mt -90.05 144.07 26.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.468 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.77 153.36 88.13 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.578 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.02 149.98 77.45 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.71 2.274 . . . . 0.0 111.871 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.424 HD11 ' NE2' ' A' ' 66' ' ' GLN . 4.8 mp -104.34 153.55 38.96 Favored Pre-proline 0 C--O 1.234 0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.059 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.77 163.84 1.19 Allowed 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.295 1.997 . . . . 0.0 112.016 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.7 135.98 49.68 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.951 2.434 . . . . 0.0 112.013 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -75.39 119.12 75.56 Favored Pre-proline 0 N--CA 1.445 -0.685 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.287 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.97 156.14 38.65 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.624 2.216 . . . . 0.0 112.005 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.16 -25.97 59.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.476 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.54 -43.26 94.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.652 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.7 m-30 -85.06 10.34 12.26 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.113 0.482 . . . . 0.0 110.763 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -59.31 -28.12 66.49 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.611 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.9 p -69.54 -14.42 62.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.25 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.9 pt -122.53 23.4 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.565 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -66.88 -54.21 24.54 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.865 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -68.34 -20.51 64.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.414 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.475 ' CD2' ' CE2' ' A' ' 41' ' ' TYR . 18.9 m80 -69.79 -65.67 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.045 0.45 . . . . 0.0 111.05 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 22' ' ' ARG . 1.5 pp -63.17 -34.72 78.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.606 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' N ' HD12 ' A' ' 21' ' ' LEU . 32.0 ttm-85 -60.42 -46.88 88.43 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.949 0.404 . . . . 0.0 110.721 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.4 m -68.47 -30.19 68.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.392 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.37 -57.06 14.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -62.36 -38.93 91.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.549 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -60.47 -51.23 70.35 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.718 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' ARG . 1.6 m80 -61.72 -37.13 83.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.682 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -42.68 -33.2 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.3 -42.64 99.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.424 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' HIS . 26.0 mmt180 -85.96 -52.29 5.81 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.993 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -135.53 120.62 13.6 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.629 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.86 -28.1 9.72 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.65 2.234 . . . . 0.0 112.084 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -62.27 -45.4 98.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.3 t -60.31 -44.77 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.103 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.69 -50.46 73.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.522 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -47.78 -58.54 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.798 0.333 . . . . 0.0 110.893 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -62.04 -46.06 90.83 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.173 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 94.3 m -57.06 -36.69 70.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.183 0.516 . . . . 0.0 110.183 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -41.91 92.2 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.363 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.3 tp -56.87 -41.64 78.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.848 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.533 ' CD1' ' OD1' ' A' ' 126' ' ' ASP . 51.7 t80 -60.73 -46.92 88.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.224 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.69 -42.81 89.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.562 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.492 ' O ' ' SD ' ' A' ' 47' ' ' MET . 30.3 mtt -53.98 -60.8 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.454 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 97.7 mt-30 -48.33 -53.17 18.39 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.41 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.6 p -62.04 -41.94 98.64 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.908 0.385 . . . . 0.0 111.271 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.72 -50.53 66.58 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 121.072 -0.585 . . . . 0.0 111.683 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -79.47 -9.56 59.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.908 0.385 . . . . 0.0 110.828 -179.543 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 64.7 tttm -70.64 -45.43 65.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.38 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 88.7 mt -57.7 -47.55 85.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.382 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 51' ' ' SER . 96.7 m-20 -126.37 -94.63 0.46 Allowed 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 2.0 m 159.46 -79.96 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.648 0.592 . . . . 0.0 110.527 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.5 pttt -136.49 94.1 2.96 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.344 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.1 m -101.97 131.84 22.27 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.933 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -41.4 -31.68 1.11 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.564 2.176 . . . . 0.0 112.273 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -84.07 -60.06 2.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.978 0.418 . . . . 0.0 110.449 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' PHE . 60.0 m -58.8 -23.03 59.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.609 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -40.52 -41.74 1.5 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.542 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -65.11 -40.8 95.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.337 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' CYS . 32.3 t80 -63.75 -46.76 83.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.452 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.517 ' O ' ' SD ' ' A' ' 64' ' ' MET . 95.5 mt -63.84 -43.67 95.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.981 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 t -59.22 -48.57 81.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.774 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -66.29 -42.82 87.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.54 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.3 tp -61.66 -43.88 98.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.337 0.589 . . . . 0.0 110.88 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -62.88 -38.25 90.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.312 179.227 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.19 -34.79 78.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.173 0.511 . . . . 0.0 110.404 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.424 ' NE2' HD11 ' A' ' 7' ' ' LEU . 58.6 mt-30 -64.98 -43.07 93.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.7 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.84 -49.55 75.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.587 0.708 . . . . 0.0 111.336 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -65.12 -30.06 70.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.063 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.12 97.12 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.029 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.37 -38.96 92.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.332 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -57.33 -50.88 71.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.404 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -66.3 -40.9 90.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.818 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -50.94 -50.05 58.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.586 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.458 HD13 HD22 ' A' ' 77' ' ' ASN . 15.6 mt -76.48 -46.38 27.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.26 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.13 -90.55 1.21 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -100.49 92.43 5.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.774 0.321 . . . . 0.0 110.722 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 78' ' ' GLU . 54.1 t-20 -128.42 133.95 48.68 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.606 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -63.21 -43.11 99.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.508 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.47 96.32 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.872 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.7 mm -73.25 -44.1 55.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.202 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 35.4 p -74.23 -25.57 59.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.952 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -126.26 113.0 16.38 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.396 0.617 . . . . 0.0 110.458 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.662 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 1.4 pm0 -69.3 -35.2 75.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.334 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.402 HG12 ' H ' ' A' ' 84' ' ' ILE . 5.0 pt -60.23 -40.73 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.284 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.61 -46.26 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.957 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.83 -36.21 92.43 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.299 -1.121 . . . . 0.0 110.299 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.09 -45.17 93.81 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.412 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.7 -36.52 83.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -65.75 -46.94 76.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.466 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.58 -44.07 97.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.516 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -44.58 87.2 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.518 -179.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -64.33 -40.83 96.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.288 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.497 ' O ' ' SD ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -57.33 -47.67 80.95 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.938 -178.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.03 -37.43 84.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.198 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.13 -43.91 87.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.803 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.3 -44.35 95.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.454 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' A' ' 93' ' ' TYR . 2.8 mpp? -66.26 -42.27 88.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -61.93 -49.31 76.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.498 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.12 -41.08 99.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -53.36 -54.16 40.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.496 -178.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.71 -49.87 69.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.981 0.42 . . . . 0.0 110.771 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -56.04 -41.42 75.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.209 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -63.54 -43.37 97.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.621 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -65.8 -34.21 77.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.053 0.454 . . . . 0.0 110.185 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.78 -41.27 78.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.167 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -66.25 -26.04 67.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.477 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.44 -25.48 67.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.432 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.88 -12.83 57.74 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 109' ' ' ARG . 10.0 ptp180 -98.83 136.28 39.08 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -113.06 140.53 47.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.035 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -141.79 162.55 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.539 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -30.33 70.84 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.188 0.518 . . . . 0.0 110.525 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.595 ' OD1' ' N ' ' A' ' 114' ' ' MET . 38.4 p30 -57.95 -24.67 59.0 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.086 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.595 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 3.3 tpp -65.7 -45.79 81.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.717 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.44 -43.3 98.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -38.98 92.2 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.748 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.1 m -61.92 -46.94 87.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.738 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -61.53 -43.77 98.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -55.87 -41.75 74.88 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.898 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.7 m -62.11 -43.18 99.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.398 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.426 ' O ' HD13 ' A' ' 125' ' ' ILE . . . -55.48 -53.96 49.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.704 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.9 m -58.6 -38.23 77.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.097 0.475 . . . . 0.0 110.616 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.548 ' O ' ' OD2' ' A' ' 126' ' ' ASP . 4.3 tp -61.1 -43.74 98.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.764 0.792 . . . . 0.0 110.183 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.06 -39.18 93.96 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 121.563 0.696 . . . . 0.0 110.467 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 121' ' ' ALA . 1.4 mp -55.39 -47.66 77.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.216 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.572 ' O ' ' OG1' ' A' ' 129' ' ' THR . 0.9 OUTLIER -59.29 -39.69 83.77 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-O 122.474 1.13 . . . . 0.0 109.962 -178.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.62 ' O ' HG22 ' A' ' 130' ' ' VAL . 97.5 t -59.12 -28.26 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.75 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 90.4 mt -82.26 -35.33 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.358 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.572 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 48.7 p -55.95 -27.1 50.92 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.198 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 127' ' ' VAL . 7.7 m -52.41 -33.52 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.373 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -69.01 -35.86 77.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.47 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 101.48 -6.9 55.72 Favored Glycine 0 N--CA 1.464 0.527 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.504 ' O ' HD22 ' A' ' 134' ' ' LEU . 1.0 OUTLIER -103.79 109.16 20.78 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.693 0.282 . . . . 0.0 110.465 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.504 HD22 ' O ' ' A' ' 133' ' ' GLU . 0.6 OUTLIER -127.81 131.45 49.56 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.29 179.508 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 139' ' ' VAL . 0.0 OUTLIER -96.79 170.67 9.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.344 179.11 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.415 ' N ' ' OG1' ' A' ' 135' ' ' THR . 98.2 m-20 -64.78 -38.21 90.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.804 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 137' ' ' GLU . 0.4 OUTLIER -57.29 -52.66 64.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.967 -178.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -62.05 -39.89 93.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.718 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 135' ' ' THR . 58.8 t -60.09 -45.21 95.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.186 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -63.35 -40.61 97.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -58.35 -48.3 81.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.789 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -63.49 -48.68 76.6 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.95 -44.03 97.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.789 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -66.28 -43.15 87.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.323 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.14 -46.22 88.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -61.24 -48.94 79.17 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.229 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 53.8 m0 -65.38 -49.17 70.33 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.741 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -63.04 -47.49 82.78 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 123.464 0.478 . . . . 0.0 111.257 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -53.43 -57.2 11.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.85 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 85.9 m -63.29 -42.09 99.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.448 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.406 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 85.8 t80 -57.97 -47.64 82.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.705 -178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.34 -44.36 99.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.657 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -57.94 -47.39 83.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.61 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.425 ' O ' ' OD1' ' A' ' 158' ' ' ASN . 20.8 m-20 -65.21 -38.86 91.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.588 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 90.8 m -62.15 -49.22 76.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.037 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.74 -40.79 98.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.585 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -63.13 -31.82 73.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.706 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 154' ' ' ASN . 2.4 m120 -88.54 2.92 52.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.395 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 77.75 -0.9 69.52 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -91.22 148.82 22.08 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.8 0.333 . . . . 0.0 110.507 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 47.0 p -93.48 143.98 27.51 Favored Pre-proline 0 N--CA 1.448 -0.532 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.459 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.02 162.47 38.95 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.863 2.376 . . . . 0.0 112.263 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.35 179.278 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mtp . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.8 165.16 27.14 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.84 147.05 25.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.485 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mt -112.96 140.53 47.69 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.309 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.408 ' O ' ' NE2' ' A' ' 66' ' ' GLN . . . -60.11 149.57 74.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.593 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.02 151.35 82.14 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 122.706 2.271 . . . . 0.0 111.935 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.658 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.1 mp -96.42 150.59 37.27 Favored Pre-proline 0 N--CA 1.454 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.877 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -49.25 165.38 0.23 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.497 2.131 . . . . 0.0 111.39 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.17 134.81 62.19 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.856 2.371 . . . . 0.0 111.771 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tp -76.61 116.6 58.05 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.828 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.49 154.24 40.07 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.443 2.096 . . . . 0.0 112.157 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.21 -26.11 64.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -66.11 -32.39 73.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.897 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.402 ' C ' ' N ' ' A' ' 16' ' ' SER . 3.2 m-85 -93.11 -7.93 44.13 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.554 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -44.93 -23.85 0.17 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.784 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 14' ' ' PHE . 65.8 p -61.04 -34.81 75.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.512 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' O ' HD21 ' A' ' 21' ' ' LEU . 24.2 pt -105.11 22.51 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.922 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -62.15 -37.3 84.65 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.635 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -68.1 -37.72 81.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.553 ' CD2' HD11 ' A' ' 123' ' ' LEU . 25.8 m80 -55.93 -61.86 2.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.271 0.558 . . . . 0.0 111.264 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.427 ' CD2' ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -58.54 -48.65 80.16 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.262 -179.623 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -54.4 -47.81 72.31 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.274 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 18.5 m -64.01 -45.73 87.64 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.744 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.01 -30.52 71.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -62.18 -47.38 84.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' OE2' ' N ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -81.45 -16.43 52.02 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.763 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.524 ' N ' ' OE2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -84.6 -17.96 37.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.678 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -59.96 -40.72 90.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.754 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -84.5 -8.67 58.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.18 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -99.39 -46.89 5.35 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -158.46 100.71 1.7 Allowed Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.486 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -51.82 -33.19 49.72 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.721 2.281 . . . . 0.0 112.071 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.22 -45.34 98.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.488 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.1 t -62.58 -44.96 99.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.222 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.13 97.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -55.07 -53.45 55.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.968 0.414 . . . . 0.0 110.583 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -68.59 -42.64 77.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.12 0.486 . . . . 0.0 110.93 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.5 t -55.24 -44.32 75.38 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.24 0.543 . . . . 0.0 110.339 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -43.68 98.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.873 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.4 tp -50.8 -46.07 59.57 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.016 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -60.54 -47.25 86.99 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 119.49 -0.884 . . . . 0.0 110.193 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.49 -36.21 63.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.539 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.509 ' O ' ' SD ' ' A' ' 47' ' ' MET . 50.6 mtt -62.63 -63.55 1.19 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.599 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -43.21 -54.52 4.46 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.885 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.3 m -68.49 -42.54 78.5 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.84 0.352 . . . . 0.0 111.423 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -58.48 -54.07 40.73 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 121.226 -0.512 . . . . 0.0 111.966 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.1 OUTLIER -66.58 -29.08 69.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.722 -0.281 . . . . 0.0 110.467 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -58.44 -45.08 89.24 Favored 'General case' 0 C--O 1.231 0.095 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.188 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.9 mt -65.96 -44.33 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.578 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -143.25 110.72 5.81 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.8 m -56.53 -63.72 1.1 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.687 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -156.94 99.64 1.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.592 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.605 HG22 ' H ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER -106.79 157.8 34.32 Favored Pre-proline 0 N--CA 1.465 0.283 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -36.82 -45.31 1.21 Allowed 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.669 2.246 . . . . 0.0 112.44 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 57' ' ' ARG . 24.4 mp0 -86.9 -65.37 1.02 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 111.084 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.605 ' H ' HG22 ' A' ' 53' ' ' THR . 70.8 m -40.8 -22.76 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.795 0.331 . . . . 0.0 110.501 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 55' ' ' GLU . 1.5 tmt_? -51.36 -57.73 8.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.001 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -66.03 -30.54 71.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.631 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -63.59 -48.35 77.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.515 ' O ' ' SD ' ' A' ' 64' ' ' MET . 78.3 mt -65.66 -40.77 92.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.6 m -57.45 -50.69 72.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.933 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -67.86 -39.15 83.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.045 0.45 . . . . 0.0 111.02 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.2 tp -59.97 -46.85 88.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.222 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.594 ' SD ' ' N ' ' A' ' 64' ' ' MET . 0.0 OUTLIER -64.93 -40.32 94.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.915 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -65.17 -36.17 83.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.301 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -59.25 -52.17 66.8 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.571 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -39.52 95.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.214 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.13 -42.13 94.13 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.977 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.37 90.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.953 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.1 mt -61.61 -41.0 96.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.524 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -59.62 -49.7 76.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.381 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -65.6 -38.66 90.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.747 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -52.41 -55.85 18.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.298 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.0 mt -74.68 -44.39 50.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.93 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.43 -101.09 2.65 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -102.07 88.37 3.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.471 0.176 . . . . 0.0 110.788 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.07 139.73 49.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.398 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.416 ' OE2' ' NE2' ' A' ' 82' ' ' GLN . 2.2 tp10 -67.23 -36.56 81.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.195 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.05 1.04 25.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.667 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mm -120.93 -21.21 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.728 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 p -99.61 -28.51 13.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.766 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.416 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 74.5 mt-30 -112.14 118.58 35.76 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.951 0.405 . . . . 0.0 110.398 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.89 -37.69 82.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.061 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.417 HG13 ' H ' ' A' ' 85' ' ' VAL . 1.2 pt -62.5 -44.88 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.877 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.417 ' H ' HG13 ' A' ' 84' ' ' ILE . 59.5 t -63.14 -43.94 99.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.94 -42.59 99.76 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.553 ' SG ' ' CD2' ' A' ' 131' ' ' PHE . 19.7 m -61.54 -37.67 84.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.866 0.365 . . . . 0.0 110.14 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.57 89.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.574 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -61.27 -45.34 94.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.104 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.41 -42.87 98.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.58 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.04 -46.81 78.75 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.445 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -64.05 -40.11 95.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.685 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -60.84 -45.82 92.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.793 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.6 85.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.891 0.377 . . . . 0.0 110.177 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.89 -42.35 97.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.01 -46.83 88.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.227 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -66.34 -36.82 83.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.05 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -58.86 -48.46 81.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.052 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.7 mt -68.68 -37.13 79.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.308 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -55.95 -50.76 69.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.047 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.415 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -63.31 -45.47 91.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.357 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -61.0 -40.37 93.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.449 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -61.03 -40.41 93.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.259 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -61.64 -40.39 94.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.467 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.477 ' OD1' ' CE ' ' A' ' 114' ' ' MET . 1.9 m-20 -62.86 -43.59 98.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -62.54 -40.56 97.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.19 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.83 -19.81 66.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.16 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.84 30.86 25.25 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.448 HH11 ' HG2' ' A' ' 109' ' ' ARG . 29.9 mtt-85 -122.8 132.03 54.03 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -127.11 133.83 50.33 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.258 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -150.84 172.64 15.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.616 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -61.0 -37.41 82.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.649 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.51 -35.58 65.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.212 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.477 ' CE ' ' OD1' ' A' ' 105' ' ' ASP . 1.6 ttp -61.97 -40.61 96.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.123 0.487 . . . . 0.0 110.498 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 11.2 mm -66.05 -43.71 92.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.416 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -66.63 -37.48 84.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.371 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.1 t -57.87 -44.73 86.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.942 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.474 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 11.5 m-85 -63.42 -45.28 91.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.41 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -62.51 -42.57 99.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.274 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.4 m -61.29 -45.55 94.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.647 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.29 78.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.5 t -62.75 -41.53 99.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.522 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.553 HD11 ' CD2' ' A' ' 20' ' ' HIS . 48.5 tp -60.88 -44.67 96.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.349 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.78 -43.15 99.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.944 0.878 . . . . 0.0 110.331 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 67.7 mt -55.84 -41.87 68.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.57 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -59.52 -43.44 93.42 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.674 0.75 . . . . 0.0 110.015 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.691 ' O ' HG22 ' A' ' 130' ' ' VAL . 91.9 t -54.64 -28.73 19.8 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.255 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 55.0 mt -78.16 -33.46 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 121.219 0.533 . . . . 0.0 110.4 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.502 ' HA ' HD23 ' A' ' 134' ' ' LEU . 72.4 p -62.84 -26.13 68.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.679 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 127' ' ' VAL . 6.2 m -51.7 -39.89 25.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.553 ' CD2' ' SG ' ' A' ' 87' ' ' CYS . 97.2 m-85 -64.01 -39.98 95.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.852 0.358 . . . . 0.0 110.639 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.86 -21.16 18.95 Favored Glycine 0 N--CA 1.465 0.58 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -89.8 113.21 24.73 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.507 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -135.99 124.45 23.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.967 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 135' ' ' THR . 1.3 t -82.9 159.21 22.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.357 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -62.08 -35.86 79.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.669 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -53.29 -54.0 42.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.122 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -61.78 -41.16 97.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.737 0.304 . . . . 0.0 110.837 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.406 ' CG1' ' NZ ' ' A' ' 143' ' ' LYS . 92.9 t -60.63 -46.6 95.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.762 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -62.63 -44.28 96.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.813 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -67.96 -31.72 71.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.407 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -62.84 -49.3 75.45 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.906 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.406 ' NZ ' ' CG1' ' A' ' 139' ' ' VAL . 64.4 mttp -63.52 -40.9 98.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.484 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.19 -46.5 88.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.18 90.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.686 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -60.87 -48.61 81.01 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.409 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -70.54 -41.28 72.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.079 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -59.48 -40.86 88.33 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.608 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.474 ' HB2' ' HB3' ' A' ' 118' ' ' PHE . . . -69.51 -48.24 61.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.043 0.449 . . . . 0.0 110.8 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 7.4 m -64.76 -42.07 95.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.808 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -58.53 -49.77 76.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.668 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 93.6 mt -66.16 -44.2 91.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.826 0.346 . . . . 0.0 110.789 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -57.09 -48.25 79.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.702 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -65.05 -43.03 93.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.87 0.367 . . . . 0.0 110.799 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 160' ' ' GLU . 0.0 OUTLIER -56.23 -48.41 76.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.943 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 44.3 mt -64.11 -35.8 81.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.368 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -61.77 -32.23 72.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.624 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -92.64 9.45 34.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 61.02 39.37 96.98 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.463 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 56.6 mm-40 -114.25 152.73 30.85 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.774 0.321 . . . . 0.0 110.458 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 27.8 m -84.25 123.27 75.33 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.38 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.21 160.35 42.54 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.583 2.188 . . . . 0.0 112.166 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.48 179.742 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.46 132.11 53.01 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.253 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.97 168.53 9.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.182 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.7 mt -106.44 145.4 31.81 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.32 154.51 88.1 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.56 144.91 86.27 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.97 2.447 . . . . 0.0 111.43 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.681 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.4 mm? -91.34 146.27 33.07 Favored Pre-proline 0 C--N 1.328 -0.354 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.201 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -55.07 172.5 0.37 Allowed 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.198 1.932 . . . . 0.0 112.358 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.09 137.46 53.91 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.37 2.047 . . . . 0.0 111.208 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.78 115.97 61.47 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.981 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.22 163.23 25.25 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.347 2.032 . . . . 0.0 112.152 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.5 -26.5 67.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.201 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -57.34 -38.07 73.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.714 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -105.91 42.19 1.29 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.007 0.432 . . . . 0.0 111.031 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -78.73 -28.97 45.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.345 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.5 m -69.55 -41.94 75.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.351 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.4 pt -90.21 10.79 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.619 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -58.76 -49.29 78.18 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.456 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -67.55 -33.63 75.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.958 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.48 ' CD2' ' CD1' ' A' ' 41' ' ' TYR . 45.6 m80 -59.3 -64.14 1.05 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.662 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.86 -39.01 90.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.665 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -58.83 -44.64 90.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.154 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.6 m -60.71 -43.19 98.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.296 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.17 89.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.565 ' CD ' HH22 ' A' ' 39' ' ' ARG . 8.0 mm100 -53.62 -41.65 66.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.975 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -71.26 -46.86 60.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.776 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' ASP . 33.5 m80 -65.27 -17.62 64.65 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.836 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -60.19 -38.56 83.63 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.351 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -74.35 -43.77 55.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -78.05 -52.09 9.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.251 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 27' ' ' HIS . 1.1 m-20 -135.17 110.38 10.73 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.309 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.54 -33.21 8.86 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.928 1.752 . . . . 0.0 112.016 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.87 -45.5 96.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.444 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.09 -43.91 97.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.515 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.77 75.33 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.579 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -52.72 -50.91 62.47 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.829 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -65.65 -43.75 88.47 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.073 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 98.4 m -59.94 -39.91 87.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.703 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.565 HH22 ' CD ' ' A' ' 25' ' ' GLN . 91.6 mtt-85 -64.15 -38.68 91.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.396 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.85 -43.75 90.85 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.48 ' CD1' ' CD2' ' A' ' 20' ' ' HIS . 41.2 t80 -60.77 -45.46 94.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.88 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.702 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.509 ' O ' ' SD ' ' A' ' 47' ' ' MET . 47.3 mtt -60.62 -62.03 2.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.522 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -44.58 -49.15 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.529 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -66.54 -34.92 78.99 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.117 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.78 -60.77 6.54 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.783 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -60.71 -35.61 76.74 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.775 0.322 . . . . 0.0 110.274 -179.682 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -59.65 -47.05 87.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.377 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.8 mt -70.03 -57.35 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.888 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -120.46 121.59 38.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.075 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.8 m -58.52 -94.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.296 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -142.63 106.62 4.71 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.126 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 57' ' ' ARG . 7.0 m -97.85 129.75 30.5 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -39.8 -31.02 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.032 1.821 . . . . 0.0 112.616 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -84.52 -41.99 15.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 59' ' ' PHE . 74.7 m -79.53 -21.56 45.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 53' ' ' THR . 15.9 ttp180 -41.62 -46.3 3.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.049 0.452 . . . . 0.0 110.541 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.3 -39.35 92.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.179 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' CYS . 27.8 t80 -61.23 -49.07 78.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.793 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.88 -41.99 99.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.603 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.0 m -60.77 -48.15 83.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.51 -35.58 81.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.988 0.423 . . . . 0.0 110.647 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.81 -47.98 81.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.58 0.705 . . . . 0.0 110.954 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.518 ' SD ' ' N ' ' A' ' 64' ' ' MET . 0.0 OUTLIER -64.37 -32.26 73.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.664 178.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.28 -39.96 92.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.432 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.607 ' NE2' HD21 ' A' ' 7' ' ' LEU . 72.6 mt-30 -65.36 -36.67 84.7 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.244 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 tt -57.96 -51.92 67.65 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.982 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.42 -33.41 75.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.266 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.74 78.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.422 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.14 -41.44 97.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.626 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -59.03 -46.24 88.7 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.588 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.81 -38.61 86.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.321 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -52.56 -56.02 18.14 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.523 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.8 mt -77.36 -41.88 38.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.977 0.418 . . . . 0.0 110.695 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.69 -103.16 1.14 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -83.5 83.89 7.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.84 0.352 . . . . 0.0 110.608 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.97 132.84 56.1 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.805 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.07 -41.65 97.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.113 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.92 -40.12 91.15 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.036 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.6 mm -69.69 -43.94 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 0.0 110.566 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.8 p -73.1 -47.72 41.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.062 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -98.42 121.95 41.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.386 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.491 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 5.4 pm0 -69.94 -36.86 75.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.943 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.469 ' CG1' ' N ' ' A' ' 85' ' ' VAL . 6.2 pt -60.06 -44.82 95.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.273 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.469 ' N ' ' CG1' ' A' ' 84' ' ' ILE . 77.6 t -63.15 -46.38 96.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.014 0.435 . . . . 0.0 109.907 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.41 -40.66 97.96 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 83' ' ' GLU . 100.0 m -63.12 -40.28 97.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.284 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.01 96.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.398 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -60.14 -47.52 85.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.888 0.375 . . . . 0.0 110.6 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.462 ' HB3' HD12 ' A' ' 124' ' ' LEU . 9.8 mp -63.41 -42.24 98.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.362 0.601 . . . . 0.0 110.511 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -63.69 -39.77 95.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.677 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -60.14 -39.12 85.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.137 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -45.3 94.78 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.322 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.47 -44.83 72.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.387 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.36 -38.56 91.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.762 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -55.33 -50.02 70.7 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.401 -0.52 . . . . 0.0 109.855 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -69.62 -41.22 75.95 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.855 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.526 ' CD2' ' NE2' ' A' ' 141' ' ' HIS . 33.0 t80 -61.17 -48.25 82.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.574 -178.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.1 mt -65.21 -41.84 94.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.58 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -61.14 -46.32 91.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.474 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.449 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -65.2 -50.42 65.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.262 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -58.02 -41.11 82.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.586 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -61.59 -41.15 97.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.386 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.33 -37.79 86.18 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.392 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.97 -43.46 95.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.71 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -63.79 -36.07 82.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.399 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.62 -15.43 61.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.267 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.76 19.58 63.25 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.45 ' CD ' ' NE2' ' A' ' 111' ' ' HIS . 39.0 ttm-85 -116.23 125.19 51.89 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.421 ' O ' ' ND1' ' A' ' 111' ' ' HIS . 17.1 m-85 -108.53 134.89 50.69 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.45 ' NE2' ' CD ' ' A' ' 109' ' ' ARG . 41.0 m-70 -146.74 151.07 36.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.462 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -55.45 -28.95 57.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.522 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -56.95 -33.1 66.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.152 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 89.3 mtp -63.72 -41.64 98.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.535 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.8 mm -62.44 -44.84 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.588 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -63.14 -39.72 95.48 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.4 p -58.87 -45.94 88.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.449 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 47.8 m-85 -63.8 -42.79 97.62 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -57.27 -45.49 83.99 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.247 0.546 . . . . 0.0 109.765 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 15.4 m -63.2 -42.0 99.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.375 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.49 -48.33 77.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.581 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.7 p -58.28 -39.24 78.75 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.213 0.53 . . . . 0.0 110.689 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.35 -41.48 98.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.134 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -57.97 -42.63 85.42 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.882 -179.404 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.541 ' O ' HG23 ' A' ' 129' ' ' THR . 45.5 mm -58.4 -47.58 87.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.113 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.476 ' O ' ' OG1' ' A' ' 129' ' ' THR . 1.1 m-20 -52.5 -47.83 66.35 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-O 121.434 0.635 . . . . 0.0 110.813 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.615 ' O ' HG22 ' A' ' 130' ' ' VAL . 29.7 t -60.5 -29.14 43.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.083 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.4 mt -81.67 -29.54 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.952 0.406 . . . . 0.0 110.466 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 125' ' ' ILE . 65.1 p -65.04 -27.57 68.89 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.645 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 127' ' ' VAL . 8.5 m -51.4 -34.42 15.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 119.704 -0.798 . . . . 0.0 110.496 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.468 ' CZ ' ' SG ' ' A' ' 87' ' ' CYS . 94.2 m-85 -68.36 -36.03 78.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.941 0.401 . . . . 0.0 110.863 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 98.49 -11.98 63.17 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -83.34 93.07 7.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.46 132.32 54.29 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.417 ' O ' HG23 ' A' ' 139' ' ' VAL . 3.7 p -103.53 171.31 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.193 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -62.21 -42.91 99.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.015 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.31 -45.89 91.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.798 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -63.85 -39.9 95.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.619 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 135' ' ' THR . 40.6 t -61.13 -46.04 97.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.203 0.525 . . . . 0.0 109.71 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -68.87 -26.13 64.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.297 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.526 ' NE2' ' CD2' ' A' ' 98' ' ' PHE . 36.0 t-80 -61.68 -49.42 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.473 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 143' ' ' LYS . 13.4 ptm180 -68.48 -41.18 80.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.504 ' NZ ' ' CE3' ' A' ' 147' ' ' TRP . 0.0 OUTLIER -64.39 -50.06 69.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.442 -178.792 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -60.11 -48.27 82.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.25 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.57 -41.76 90.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.319 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -56.14 -57.3 12.76 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.273 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' TRP . . . . . 0.504 ' CE3' ' NZ ' ' A' ' 143' ' ' LYS . 45.2 m0 -62.72 -51.42 67.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.351 -178.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -57.41 -44.07 84.25 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.423 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -53.77 -53.14 56.5 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.654 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 36.8 m -69.26 -32.17 71.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.207 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -58.91 -53.08 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.929 -178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.86 -42.64 86.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -56.63 -48.35 77.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.069 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -65.67 -42.34 91.43 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.178 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 156' ' ' LEU . 1.6 p -56.41 -46.48 80.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 111.011 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.604 ' N ' ' SG ' ' A' ' 155' ' ' CYS . 12.9 mt -64.65 -41.23 96.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.779 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -59.9 -38.34 82.02 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -78.63 -17.71 55.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.698 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 84.28 32.12 23.59 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -117.87 148.49 42.08 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.716 0.294 . . . . 0.0 110.71 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 78.7 m -78.85 123.1 85.31 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.72 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.49 160.58 44.16 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.01 1.807 . . . . 0.0 112.492 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.194 179.584 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.523 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.2 mpt? . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.92 138.71 15.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.508 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.28 135.78 19.36 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.4 mt -82.88 152.07 25.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.437 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.26 162.43 73.78 Favored Pre-proline 0 C--N 1.326 -0.43 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.862 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.63 147.28 81.51 Favored 'Trans proline' 0 N--CA 1.498 1.737 0 C-N-CA 122.986 2.457 . . . . 0.0 112.087 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.843 HD22 ' N ' ' A' ' 7' ' ' LEU . 1.4 mm? -101.63 151.18 37.82 Favored Pre-proline 0 C--O 1.235 0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.054 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.28 162.95 0.71 Allowed 'Trans proline' 0 C--N 1.316 -1.15 0 C-N-CA 122.248 1.965 . . . . 0.0 111.569 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.07 126.59 19.27 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 123.035 2.49 . . . . 0.0 111.655 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 tp -63.4 112.94 8.05 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.384 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -62.97 150.93 87.12 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 122.672 2.248 . . . . 0.0 111.985 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.84 -25.33 64.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -63.21 -37.93 89.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.492 ' HB3' HD11 ' A' ' 17' ' ' ILE . 39.4 m-85 -101.68 25.77 8.14 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.878 0.371 . . . . 0.0 110.669 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -65.6 -40.31 92.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.681 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -55.81 -35.81 66.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.595 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.492 HD11 ' HB3' ' A' ' 14' ' ' PHE . 46.0 pt -94.97 21.38 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.171 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -63.94 -43.34 96.15 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.344 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -66.46 -36.68 83.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.715 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -56.47 -65.3 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.038 0.446 . . . . 0.0 111.136 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -35.15 73.11 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.532 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -60.3 -45.47 93.24 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.768 0.794 . . . . 0.0 110.076 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.647 HG22 ' ND1' ' A' ' 27' ' ' HIS . 11.6 m -62.18 -42.9 99.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.786 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -58.9 -40.91 85.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.323 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -56.44 -44.3 80.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.996 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -77.74 -35.53 51.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.417 0.627 . . . . 0.0 110.618 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.647 ' ND1' HG22 ' A' ' 23' ' ' THR . 2.4 m80 -75.54 -16.96 60.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.723 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ALA . 10.2 m-20 -59.31 -36.13 75.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.951 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -95.84 -34.58 11.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.774 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -76.03 -44.79 37.6 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.979 0.418 . . . . 0.0 110.968 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -147.77 93.08 4.6 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.345 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.59 -43.24 59.4 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 122.735 2.29 . . . . 0.0 112.547 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.1 -46.04 97.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.481 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 73.5 t -59.44 -45.13 93.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.171 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.23 93.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.703 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -52.02 -57.24 10.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.935 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -62.72 -42.05 99.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 96.6 m -58.91 -40.9 85.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.033 0.444 . . . . 0.0 110.319 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.628 HH11 ' CD1' ' A' ' 63' ' ' LEU . 26.2 mmt180 -63.24 -41.0 99.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.44 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.2 tp -57.53 -42.88 83.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.181 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.3 -45.93 89.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.225 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.3 87.27 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.621 0.576 . . . . 0.0 110.874 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.2 mtt -60.34 -49.15 78.73 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.448 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -55.74 -58.46 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.5 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.8 t -61.49 -33.0 73.04 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.706 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.57 -63.78 4.69 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 22.3 ptp -60.52 -25.87 66.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 110.426 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -64.42 -49.57 71.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.448 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.39 -45.71 95.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.719 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.446 ' CG ' ' H ' ' A' ' 51' ' ' SER . 47.2 t0 -121.7 -122.76 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.258 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.446 ' H ' ' CG ' ' A' ' 50' ' ' ASP . 39.7 t -176.78 -101.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.513 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -136.14 98.03 3.76 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.7 m -98.19 131.86 25.57 Favored Pre-proline 0 CA--C 1.537 0.444 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.078 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -40.27 -32.06 0.65 Allowed 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 122.286 1.991 . . . . 0.0 112.36 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -86.27 -61.15 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.98 0.419 . . . . 0.0 110.429 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' PHE . 35.9 m -59.9 -27.14 66.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.641 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -41.68 -41.35 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.485 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -63.49 -42.82 98.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.273 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 56' ' ' CYS . 68.8 t80 -62.37 -48.68 78.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.401 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.475 ' O ' ' SD ' ' A' ' 64' ' ' MET . 27.7 mt -63.94 -40.85 97.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.5 m -59.92 -51.23 70.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.043 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.16 -37.91 89.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.37 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.628 ' CD1' HH11 ' A' ' 39' ' ' ARG . 29.4 tp -59.76 -48.34 82.07 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-O 121.636 0.731 . . . . 0.0 110.972 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.57 ' SD ' ' N ' ' A' ' 64' ' ' MET . 0.0 OUTLIER -61.8 -37.87 86.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.085 -179.666 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -63.92 -38.66 91.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.079 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.408 ' OE1' HD21 ' A' ' 7' ' ' LEU . 14.8 mt-30 -58.54 -47.22 84.92 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.186 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.19 -43.2 99.26 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.719 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -63.79 -34.18 77.33 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.21 90.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.512 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.98 -40.48 95.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.587 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -61.08 -47.73 84.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.169 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -67.64 -42.82 81.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.693 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -51.84 -58.63 5.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.866 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.508 ' CB ' HD22 ' A' ' 77' ' ' ASN . 28.4 mt -73.17 -42.02 63.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.689 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.16 -99.4 2.34 Favored Glycine 0 N--CA 1.46 0.255 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -130.34 87.25 2.48 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.966 0.413 . . . . 0.0 110.817 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.66 ' ND2' ' N ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -97.26 156.72 16.3 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.786 -179.822 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.522 ' OE2' ' NE2' ' A' ' 82' ' ' GLN . 5.6 tp10 -53.0 -37.22 61.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.834 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.93 -37.75 61.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.891 0.377 . . . . 0.0 111.312 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 80' ' ' ILE . 44.1 mm -85.05 -5.42 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.76 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 77' ' ' ASN . 64.3 p -116.97 -8.31 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.961 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.522 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 43.1 mt-30 -139.05 117.09 11.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.047 0.451 . . . . 0.0 110.077 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -67.06 -34.92 78.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.925 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.413 HG13 ' H ' ' A' ' 85' ' ' VAL . 1.0 OUTLIER -60.31 -40.74 84.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.465 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.413 ' H ' HG13 ' A' ' 84' ' ' ILE . 72.3 t -68.08 -44.88 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.815 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.92 -44.3 92.55 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 88' ' ' ALA . 4.5 p -65.09 -41.16 95.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.95 0.405 . . . . 0.0 110.56 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.537 ' N ' ' SG ' ' A' ' 87' ' ' CYS . . . -63.58 -36.84 85.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.743 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.419 ' NE2' ' CZ ' ' A' ' 93' ' ' TYR . 33.6 t60 -63.33 -49.27 74.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.97 -42.71 97.18 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.775 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -56.19 -45.2 79.87 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.295 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -64.31 -40.64 96.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.419 ' CZ ' ' NE2' ' A' ' 89' ' ' HIS . 2.6 m-85 -59.7 -46.04 90.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.712 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.96 -46.22 85.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.966 0.412 . . . . 0.0 110.218 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.11 -41.38 98.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.026 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -59.94 -47.33 86.24 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.428 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 49.2 mtm -68.67 -39.83 80.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.705 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -59.54 -46.85 87.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.55 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.62 -39.95 95.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.262 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -55.32 -44.42 75.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.926 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.41 84.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.554 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.33 -38.59 84.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.434 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -62.12 -41.3 98.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.244 0.545 . . . . 0.0 110.232 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -70.83 -23.82 62.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.946 0.403 . . . . 0.0 110.175 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -74.13 -52.71 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.337 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -67.04 -23.44 65.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.503 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.29 -14.14 61.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.591 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 86.12 -21.69 15.31 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -82.96 142.41 31.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 0.0 110.316 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -126.4 138.72 53.57 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.278 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -145.86 156.58 43.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.405 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -59.66 -18.32 41.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.418 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -62.34 -37.22 84.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.406 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 55.4 mtp -58.33 -42.96 87.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.981 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 33.7 mm -62.45 -48.64 87.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.071 0.462 . . . . 0.0 110.345 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -65.64 -35.97 82.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.233 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.2 m -60.15 -45.89 91.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.761 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -63.59 -41.4 98.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.48 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -59.39 -44.26 92.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.954 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.3 m -60.31 -43.7 96.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.237 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.425 ' O ' HD13 ' A' ' 125' ' ' ILE . . . -54.26 -49.44 69.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.263 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.3 t -60.31 -40.47 90.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.425 0.631 . . . . 0.0 110.417 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 tp -58.95 -43.83 91.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.127 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 124' ' ' LEU . 2.8 tp -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.959 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.744 ' O ' HG23 ' A' ' 129' ' ' THR . 1.4 mp -52.47 -43.89 42.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.552 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.421 ' O ' ' OG1' ' A' ' 129' ' ' THR . 98.5 m-20 -59.4 -48.64 80.85 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-O 121.762 0.791 . . . . 0.0 109.979 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.711 ' O ' HG22 ' A' ' 130' ' ' VAL . 40.8 t -60.85 -24.16 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.136 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 95.5 mt -84.28 -31.76 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.52 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . 1.057 HG22 HD21 ' A' ' 134' ' ' LEU . 71.1 p -64.72 -32.39 74.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 -178.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 127' ' ' VAL . 11.9 m -54.54 -29.23 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.596 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -62.6 -41.14 98.79 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.806 0.336 . . . . 0.0 110.351 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.74 0.99 25.87 Favored Glycine 0 N--CA 1.468 0.797 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.455 ' O ' HD22 ' A' ' 134' ' ' LEU . 11.8 pt-20 -114.5 125.89 54.33 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.041 0.448 . . . . 0.0 110.619 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 1.057 HD21 HG22 ' A' ' 129' ' ' THR . 0.5 OUTLIER -126.88 111.42 14.14 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.135 0.493 . . . . 0.0 110.219 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.606 HG23 ' H ' ' A' ' 138' ' ' ASN . 9.2 t -89.04 168.13 12.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.239 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -64.06 -42.3 97.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.737 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 56.2 mp0 -56.02 -43.15 77.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.028 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.606 ' H ' HG23 ' A' ' 135' ' ' THR . 92.7 m-20 -64.57 -45.01 88.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.802 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 89.9 t -65.45 -43.96 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.72 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -61.96 -44.31 97.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.948 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.415 ' O ' ' CB ' ' A' ' 145' ' ' ALA . 45.7 m170 -65.91 -36.29 82.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.156 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 54.0 ttt85 -56.85 -62.04 2.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.824 0.345 . . . . 0.0 110.703 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 144' ' ' TYR . 16.5 pttp -65.31 -43.65 90.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.451 ' N ' ' CG ' ' A' ' 143' ' ' LYS . 70.5 t80 -62.15 -45.25 94.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.379 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 141' ' ' HIS . . . -63.39 -48.67 76.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.422 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -56.73 -47.39 80.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.186 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -66.3 -46.93 75.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.662 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -60.94 -42.91 99.1 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.62 -55.52 32.91 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.718 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 8.9 m -69.1 -41.17 77.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.165 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.495 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 85.3 t80 -58.65 -47.58 83.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 81.2 mt -63.43 -43.48 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.959 -0.297 . . . . 0.0 110.596 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -58.99 -48.49 81.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.866 0.365 . . . . 0.0 110.545 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -66.39 -38.57 87.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.706 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 96.9 m -60.51 -42.87 97.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.68 -40.86 92.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.711 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -58.96 -44.03 91.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.437 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -78.77 -3.16 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.48 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 79.1 8.16 88.01 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -81.59 145.23 30.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 110.713 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.8 m -88.84 118.02 68.87 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.519 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -53.35 148.39 33.27 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.343 2.028 . . . . 0.0 112.394 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.102 179.856 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.449 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.12 106.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.423 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.81 142.32 13.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.441 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.1 mt -78.76 146.2 33.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.114 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.34 158.4 69.25 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.833 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' C ' HD22 ' A' ' 7' ' ' LEU . 33.0 Cg_exo -60.88 151.24 78.88 Favored 'Trans proline' 0 N--CA 1.504 2.141 0 C-N-CA 122.291 1.994 . . . . 0.0 112.138 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.84 HD22 ' N ' ' A' ' 7' ' ' LEU . 1.3 mm? -105.95 144.3 28.63 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.049 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.5 165.08 32.99 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.369 2.046 . . . . 0.0 112.121 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.15 126.6 8.09 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.076 1.851 . . . . 0.0 111.388 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 tp -61.08 117.13 23.01 Favored Pre-proline 0 CA--C 1.543 0.7 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.947 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -54.9 156.53 15.17 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 121.997 1.798 . . . . 0.0 112.125 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.45 91.01 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.066 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.411 ' HG2' ' H ' ' A' ' 13' ' ' GLN . 3.5 pt20 -71.56 -20.06 62.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.964 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.772 ' CD2' HD11 ' A' ' 17' ' ' ILE . 3.2 m-30 -92.47 8.3 39.3 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.069 0.461 . . . . 0.0 110.433 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -61.53 -37.22 82.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.347 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 m -57.63 -34.14 68.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.879 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.772 HD11 ' CD2' ' A' ' 14' ' ' PHE . 42.2 pt -96.02 18.46 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.048 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -61.97 -45.19 94.72 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.275 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -69.88 -37.66 76.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.883 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.446 ' CD2' ' CD1' ' A' ' 41' ' ' TYR . 56.8 m80 -53.87 -61.7 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 111.342 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.57 -40.12 92.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -59.88 -42.43 93.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.053 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.6 m -62.15 -44.26 97.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.16 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.36 96.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.465 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -57.9 -45.33 86.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.429 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -70.85 -44.76 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.753 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.624 ' CE1' HH21 ' A' ' 30' ' ' ARG . 23.0 m80 -64.22 -34.89 79.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.178 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 41.1 t0 -46.69 -31.29 2.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.395 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -84.39 -19.43 33.55 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.317 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.624 HH21 ' CE1' ' A' ' 27' ' ' HIS . 83.8 mtm180 -103.08 -52.22 3.09 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.775 0.321 . . . . 0.0 110.918 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -139.95 92.32 9.88 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.491 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.88 -36.13 62.4 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 122.664 2.243 . . . . 0.0 112.529 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.08 -45.05 96.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.59 -43.88 98.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.989 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -43.42 95.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.621 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -55.82 -50.24 71.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 110.287 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -63.78 -42.96 97.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.451 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.8 m -61.66 -39.92 93.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.196 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' A' ' 66' ' ' GLN . 85.9 mtt-85 -62.5 -37.17 84.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.315 179.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.4 -47.58 85.45 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.341 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.446 ' CD1' ' CD2' ' A' ' 20' ' ' HIS . 55.4 t80 -61.59 -42.97 99.63 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.84 -50.89 62.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.492 ' HE3' HD13 ' A' ' 67' ' ' LEU . 38.8 mtt -63.01 -45.5 92.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.171 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.422 ' HA ' ' SD ' ' A' ' 47' ' ' MET . 2.1 mt-30 -51.69 -51.11 58.53 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.04 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.6 m -71.42 -42.78 67.85 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.709 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.15 -49.29 76.24 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.422 ' SD ' ' HA ' ' A' ' 44' ' ' GLN . 5.2 ptm -67.51 -29.27 68.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 4.5 tptp -59.27 -49.99 75.73 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.007 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.16 -48.41 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.547 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' CG ' ' OG1' ' A' ' 53' ' ' THR . 15.7 t0 -145.5 100.11 3.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.88 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.5 m -47.85 -81.0 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.76 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -115.23 104.76 12.15 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.42 ' OG1' ' CG ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -107.36 133.39 20.38 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -42.28 -42.23 7.55 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.06 1.84 . . . . 0.0 112.765 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -85.16 -53.26 5.37 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.741 0.305 . . . . 0.0 111.418 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.638 ' SG ' ' CZ ' ' A' ' 14' ' ' PHE . 4.4 t -58.61 -21.74 54.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.046 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -49.79 -42.59 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.2 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -62.28 -44.14 97.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.236 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.44 -47.41 84.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.187 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.53 -41.77 98.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.559 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.5 m -55.77 -61.37 2.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.871 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -63.37 -43.81 96.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.057 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.9 tp -56.88 -48.01 79.16 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.668 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.03 -38.62 89.38 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.467 -0.493 . . . . 0.0 109.883 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.38 -37.85 82.08 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.942 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.535 HE22 HD21 ' A' ' 7' ' ' LEU . 70.0 mt-30 -63.74 -37.85 88.9 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.283 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.492 HD13 ' HE3' ' A' ' 43' ' ' MET . 11.2 tp -60.02 -48.62 80.94 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.904 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.7 -32.71 73.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.126 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.33 96.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.023 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.77 -41.92 97.88 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.378 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -61.63 -47.19 86.55 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.229 -0.588 . . . . 0.0 109.64 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -69.26 -40.22 77.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -56.57 -51.81 67.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.4 mt -70.76 -41.35 71.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.53 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.03 -99.54 0.51 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -87.15 85.4 7.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.926 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.83 129.7 53.66 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.753 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -66.73 -39.71 88.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.46 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.03 -39.66 83.06 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.993 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.7 mm -69.45 -45.16 79.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.852 0.358 . . . . 0.0 110.76 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.7 p -69.64 -47.18 64.27 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.067 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -96.09 117.63 31.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.421 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.665 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 3.5 pm0 -69.57 -37.34 76.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.977 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.5 pt -62.33 -42.55 95.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.485 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.9 t -64.05 -46.52 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.97 -38.64 95.72 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.7 t -64.1 -43.31 95.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.332 . . . . 0.0 110.316 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.74 90.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.319 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.567 ' NE2' ' CE1' ' A' ' 93' ' ' TYR . 57.8 t60 -61.87 -44.0 97.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.389 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.73 -42.85 97.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.4 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -58.59 -44.66 89.93 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.14 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.94 -39.21 93.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.744 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.567 ' CE1' ' NE2' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -58.27 -46.25 86.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.335 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.41 93.56 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.654 -0.419 . . . . 0.0 109.871 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.46 -42.73 98.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.395 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -62.44 -45.91 90.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.863 0.364 . . . . 0.0 110.582 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 48.7 mtm -66.94 -39.02 87.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.846 0.355 . . . . 0.0 110.549 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -60.08 -46.47 89.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.61 -40.76 97.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.346 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -58.23 -44.18 88.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.931 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.423 ' HB1' ' CZ ' ' A' ' 118' ' ' PHE . . . -60.97 -48.02 83.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.549 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.47 -40.81 97.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.922 0.392 . . . . 0.0 110.526 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -62.72 -43.4 98.89 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.194 0.521 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 5.2 tm-20 -62.99 -33.97 76.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.897 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -61.2 -44.7 96.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.781 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -64.98 -24.9 67.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.244 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 104' ' ' GLU . . . -63.09 -25.41 68.35 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.445 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.75 -24.08 19.6 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -83.04 139.36 33.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.022 0.439 . . . . 0.0 110.204 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.54 135.27 54.85 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.4 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.444 ' ND1' ' N ' ' A' ' 112' ' ' LYS . 41.6 t-80 -147.53 162.36 39.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.092 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.444 ' N ' ' ND1' ' A' ' 111' ' ' HIS . 64.2 mmtt -56.89 -17.82 10.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -61.92 -36.98 82.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.453 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 38.5 mmm -60.36 -44.84 95.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 40.9 mm -62.37 -44.07 98.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.913 0.387 . . . . 0.0 110.204 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -63.93 -41.82 97.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.552 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.5 p -59.29 -46.36 88.77 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.866 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.423 ' CZ ' ' HB1' ' A' ' 101' ' ' ALA . 43.5 m-85 -64.66 -43.0 95.0 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.836 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -63.9 -42.12 97.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.435 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.4 m -59.79 -43.88 94.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.605 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.69 -48.89 79.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.742 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 93.9 p -58.34 -37.5 75.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.039 0.447 . . . . 0.0 110.913 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 123' ' ' LEU . 71.0 mt -63.84 -43.78 95.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.481 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.88 -36.27 83.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.675 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 129' ' ' THR . 5.0 mm -59.24 -44.73 92.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.67 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.44 -42.89 97.03 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 121.454 0.645 . . . . 0.0 110.027 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.605 ' O ' HG22 ' A' ' 130' ' ' VAL . 73.1 t -57.61 -28.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.055 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 97.6 mt -81.1 -34.39 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.8 0.333 . . . . 0.0 110.542 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.599 HG22 HD11 ' A' ' 134' ' ' LEU . 73.8 p -62.28 -26.02 68.17 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.78 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 127' ' ' VAL . 4.3 m -52.53 -31.89 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.771 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -63.91 -27.42 69.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.619 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.61 -19.12 54.88 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 1.1 mp0 -95.79 122.06 38.17 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.881 0.372 . . . . 0.0 110.35 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.599 HD11 HG22 ' A' ' 129' ' ' THR . 2.7 mt -129.54 138.63 51.44 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.133 0.492 . . . . 0.0 110.771 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.454 HG23 ' H ' ' A' ' 138' ' ' ASN . 0.2 OUTLIER -105.76 149.07 26.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.89 178.275 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -50.61 -30.76 14.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.589 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.414 ' N ' ' OE2' ' A' ' 137' ' ' GLU . 1.4 mp0 -64.45 -50.8 66.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.518 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.454 ' H ' HG23 ' A' ' 135' ' ' THR . 6.0 m-20 -61.99 -45.5 93.34 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.198 -179.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.82 -45.21 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -62.9 -41.0 99.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.579 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -63.6 -40.31 96.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.188 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -62.19 -53.65 52.24 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.114 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -64.26 -38.58 91.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.945 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -59.85 -48.76 80.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.243 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.91 73.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.5 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -60.0 -50.12 75.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.533 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -66.62 -42.03 87.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.383 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -62.39 -43.44 98.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.007 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.03 -49.87 75.66 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.547 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 21.4 m -71.26 -42.8 68.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.578 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -57.53 -49.54 75.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.617 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.22 -44.0 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.3 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -61.62 -43.74 98.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.694 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -62.56 -41.24 98.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.574 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 160' ' ' GLU . 87.8 m -60.92 -44.68 96.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.897 0.38 . . . . 0.0 110.442 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.41 -38.38 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.45 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -57.03 -40.66 77.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.646 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -90.55 5.91 45.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.547 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 71.55 12.42 73.56 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 155' ' ' CYS . 96.9 mt-10 -87.07 148.35 25.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.607 0.242 . . . . 0.0 110.417 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.3 m -95.9 124.15 53.22 Favored Pre-proline 0 CA--C 1.54 0.574 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.723 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.6 162.04 40.72 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.036 1.824 . . . . 0.0 112.296 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.11 179.474 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtp . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.58 124.54 7.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.222 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.01 152.73 19.85 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.281 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.574 ' CD1' ' NH2' ' A' ' 39' ' ' ARG . 46.4 mt -94.91 151.87 18.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.108 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.83 150.92 93.96 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.924 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.26 151.66 76.41 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.528 2.152 . . . . 0.0 111.379 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.455 ' CD1' ' NE2' ' A' ' 66' ' ' GLN . 6.8 mp -106.43 154.7 39.7 Favored Pre-proline 0 N--CA 1.469 0.5 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -67.34 167.93 19.16 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.552 2.168 . . . . 0.0 111.349 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -44.94 133.95 10.79 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.972 1.781 . . . . 0.0 111.797 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.24 118.44 72.48 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.413 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -54.62 153.61 23.15 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 121.793 1.662 . . . . 0.0 112.72 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.13 96.26 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.521 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.416 ' H ' ' HG2' ' A' ' 13' ' ' GLN . 10.6 pt20 -64.37 -17.96 64.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.677 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.424 ' CD2' HD11 ' A' ' 17' ' ' ILE . 3.9 m-30 -97.35 5.57 49.65 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.675 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -58.06 -26.85 63.03 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -66.55 -48.17 70.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.739 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.424 HD11 ' CD2' ' A' ' 14' ' ' PHE . 31.4 pt -85.8 -1.97 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.091 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -53.16 -42.11 65.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.97 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -65.55 -38.57 90.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.236 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -59.86 -61.69 2.43 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -36.11 76.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.516 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -58.88 -45.79 89.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.922 0.391 . . . . 0.0 110.621 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.2 m -63.79 -42.42 97.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.214 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.21 93.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.265 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -58.47 -44.22 89.23 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -70.3 -50.19 41.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' ASP . 13.5 m80 -61.64 -37.14 82.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.316 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -43.89 -39.64 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.675 0.274 . . . . 0.0 110.433 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -66.75 -40.66 88.37 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.675 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.401 ' HG3' HH11 ' A' ' 30' ' ' ARG . 27.7 mtt85 -86.85 -54.05 4.57 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' HIS . 17.8 t0 -127.56 106.02 21.11 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-O 119.723 -0.179 . . . . 0.0 110.999 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.35 -30.65 19.24 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.272 1.315 . . . . 0.0 112.036 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.6 -46.5 94.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.417 HG23 ' CG ' ' A' ' 31' ' ' ASP . 70.3 t -63.03 -45.09 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.408 ' HB1' ' NH1' ' A' ' 39' ' ' ARG . . . -62.29 -38.02 87.77 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.599 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -57.19 -52.77 63.98 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.958 0.408 . . . . 0.0 110.521 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -67.47 -36.66 81.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.06 0.457 . . . . 0.0 110.237 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.3 t -56.94 -44.44 82.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.985 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.574 ' NH2' ' CD1' ' A' ' 4' ' ' LEU . 84.3 mtt85 -63.64 -41.84 98.2 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.403 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.6 tp -50.14 -48.45 53.74 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.247 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -63.25 -44.31 95.55 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.168 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.38 -37.71 78.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.877 0.37 . . . . 0.0 110.427 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.517 ' O ' ' SD ' ' A' ' 47' ' ' MET . 39.0 mtt -61.23 -62.69 1.66 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.19 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -44.15 -44.58 7.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.556 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.3 p -69.4 -35.41 75.74 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.834 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.84 -54.17 29.89 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.153 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -65.86 -37.5 86.34 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.568 0.223 . . . . 0.0 110.784 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -54.56 -47.22 73.52 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.0 mt -72.6 -70.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.523 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.457 ' OD2' ' SG ' ' A' ' 56' ' ' CYS . 28.3 t70 -108.26 113.99 27.52 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.211 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 50' ' ' ASP . 51.1 m -56.05 -108.18 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.533 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -127.46 97.55 4.92 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.535 HG22 ' H ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -106.78 160.26 26.95 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -42.66 -50.45 5.88 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 122.296 1.998 . . . . 0.0 113.517 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.59 -61.93 1.63 Allowed 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.394 0.616 . . . . 0.0 111.066 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.535 ' H ' HG22 ' A' ' 53' ' ' THR . 61.7 m -49.28 -23.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.155 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -50.7 -58.17 6.53 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 121.211 0.529 . . . . 0.0 110.215 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.14 -41.0 91.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.581 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -59.34 -48.39 81.8 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.398 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.62 -41.91 98.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.383 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.4 t -60.67 -45.67 93.24 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.725 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -63.91 -42.5 97.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.414 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.98 -44.13 97.39 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.362 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -40.39 96.17 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.943 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -62.55 -40.93 98.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.614 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.455 ' NE2' ' CD1' ' A' ' 7' ' ' LEU . 55.3 mt-30 -60.25 -44.9 94.86 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.36 -43.93 97.66 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.377 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -36.56 83.59 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.42 -49.69 66.79 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.216 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 70' ' ' LEU . 84.0 mt -63.41 -41.65 98.72 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.901 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -59.62 -47.46 85.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.195 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -69.38 -32.51 71.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.309 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -58.15 -55.94 28.44 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.5 mt -78.02 -42.43 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.77 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.6 -99.8 2.01 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -96.49 89.1 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.693 0.282 . . . . 0.0 110.767 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -126.61 127.38 45.15 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.449 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -50.87 -39.3 53.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.296 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.1 -36.2 74.74 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.728 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.4 mm -89.17 -48.66 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.486 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.2 p -65.14 -43.06 93.12 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.687 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -104.58 115.35 30.19 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.329 0.585 . . . . 0.0 110.712 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.4 ' C ' ' OE1' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -67.98 -37.12 81.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.652 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 pt -56.69 -42.21 76.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.4 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.04 -46.58 93.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 0.0 110.098 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.36 -36.05 92.89 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 49.9 t -65.49 -44.1 88.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.723 0.296 . . . . 0.0 110.772 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.69 95.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.745 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -64.59 -45.6 86.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.64 -44.25 96.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.403 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -63.06 -42.51 99.72 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -63.88 -38.79 92.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.644 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -49.77 76.46 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.682 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.37 -36.72 78.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -62.63 -44.45 96.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.383 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -62.58 -46.84 86.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.904 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 70.6 mtm -66.32 -39.82 89.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.6 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.604 ' CG ' ' NE2' ' A' ' 141' ' ' HIS . 63.3 t80 -59.89 -45.03 93.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.649 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.9 mt -62.77 -40.34 97.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.687 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.24 -46.83 82.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.308 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.38 96.73 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.869 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.35 -43.5 98.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.89 0.376 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -63.5 -40.61 97.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.39 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -60.82 -42.74 98.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.191 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -59.5 -43.0 93.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.057 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -38.76 92.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.349 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.79 -26.11 68.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.348 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.53 ' O ' ' CE2' ' A' ' 110' ' ' PHE . . . 97.38 -7.49 63.93 Favored Glycine 0 N--CA 1.465 0.585 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -84.17 134.55 34.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' A' ' 108' ' ' GLY . 13.5 m-85 -123.89 133.76 53.68 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -148.12 173.5 12.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.344 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -64.18 -18.41 64.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.371 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -63.19 -36.87 85.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.801 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.476 ' O ' ' CD2' ' A' ' 118' ' ' PHE . 61.5 mtp -56.41 -50.35 71.87 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.068 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.7 mm -65.06 -43.68 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.388 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -62.55 -40.66 97.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.346 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 82.7 p -59.67 -48.01 83.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.662 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.476 ' CD2' ' O ' ' A' ' 114' ' ' MET . 52.7 m-85 -66.72 -43.93 82.96 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.679 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -61.71 -48.36 81.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.129 0.49 . . . . 0.0 110.284 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 97.9 m -63.96 -43.73 94.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.56 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.28 -43.77 71.34 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.07 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.2 t -62.17 -42.17 99.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.661 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.8 mp -59.52 -47.44 85.53 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.591 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.07 -40.46 97.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.397 0.617 . . . . 0.0 110.216 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 53.1 mt -58.88 -43.51 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 C-N-CA 120.346 -0.542 . . . . 0.0 109.541 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -59.0 -42.63 90.54 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 121.547 0.689 . . . . 0.0 109.926 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.656 ' O ' HG22 ' A' ' 130' ' ' VAL . 94.2 t -56.66 -31.51 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.599 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 82.5 mt -72.19 -38.24 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.908 0.385 . . . . 0.0 110.924 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.555 HG22 HD21 ' A' ' 134' ' ' LEU . 30.4 p -60.03 -29.61 68.63 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.101 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 127' ' ' VAL . 2.8 m -52.88 -27.07 12.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.925 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -68.39 -12.97 61.94 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.601 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.92 12.81 84.05 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -124.59 86.0 2.5 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.555 HD21 HG22 ' A' ' 129' ' ' THR . 4.4 mt -97.08 138.06 35.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.073 0.463 . . . . 0.0 110.957 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.496 HG23 ' H ' ' A' ' 138' ' ' ASN . 0.2 OUTLIER -103.28 162.28 13.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.336 178.172 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.59 -36.83 81.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.349 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 137' ' ' GLU . 12.2 mp0 -61.59 -47.27 86.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.34 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.496 ' H ' HG23 ' A' ' 135' ' ' THR . 9.1 m-20 -61.64 -46.86 87.95 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.444 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.59 -47.93 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.398 0.618 . . . . 0.0 109.723 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -63.92 -42.22 97.45 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.568 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.604 ' NE2' ' CG ' ' A' ' 98' ' ' PHE . 62.9 t-80 -61.54 -43.7 98.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.022 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.63 HH21 ' NZ ' ' A' ' 143' ' ' LYS . 56.2 ttp180 -59.41 -45.22 92.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.592 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.63 ' NZ ' HH21 ' A' ' 142' ' ' ARG . 41.3 mmtm -63.11 -42.5 99.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.695 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -60.28 -47.76 84.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.343 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.4 87.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.212 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -54.44 45.64 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.754 0.312 . . . . 0.0 111.296 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' TRP . . . . . 0.411 ' CD1' ' N ' ' A' ' 147' ' ' TRP . 20.0 m0 -66.75 -39.8 88.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.907 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.75 -44.23 96.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.645 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.89 75.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.759 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 97.5 m -64.3 -43.9 93.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.537 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -58.55 -51.07 71.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.739 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.87 -43.17 93.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.454 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -56.39 -49.22 75.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.985 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -65.02 -39.3 93.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.496 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 45.1 t -56.99 -51.9 67.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.034 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.84 -36.09 82.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.456 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -55.19 -41.66 72.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.581 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -89.99 6.53 41.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.506 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.13 43.51 93.07 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -112.7 153.99 26.84 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.756 0.313 . . . . 0.0 110.448 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 18.3 m -88.36 118.9 69.99 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.515 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.31 165.99 29.74 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 121.894 1.729 . . . . 0.0 112.469 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.455 179.643 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.2 mmm . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.87 149.82 43.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.554 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -133.06 134.12 43.92 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.867 0.365 . . . . 0.0 110.399 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.9 mt -93.26 160.72 14.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.649 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.63 146.8 85.07 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.691 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -71.46 152.17 60.01 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.396 2.064 . . . . 0.0 111.496 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.4 mt -112.98 146.55 35.35 Favored Pre-proline 0 N--CA 1.469 0.502 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -70.77 167.28 26.21 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.055 1.837 . . . . 0.0 112.027 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -44.96 133.4 10.92 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.162 1.908 . . . . 0.0 111.695 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tt -71.98 116.73 51.43 Favored Pre-proline 0 CA--C 1.544 0.726 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.574 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -58.18 150.55 65.19 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.03 1.82 . . . . 0.0 112.195 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.27 -22.45 61.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.578 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -60.53 -38.92 86.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -95.6 21.47 8.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.227 0.537 . . . . 0.0 110.71 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -62.12 -33.64 74.85 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.86 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 t -64.96 -46.52 81.17 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.359 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.3 pt -90.08 18.15 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.84 -44.83 93.88 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.372 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -66.85 -38.98 87.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.007 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -54.4 -64.81 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.358 . . . . 0.0 111.593 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -41.04 97.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.283 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -57.63 -43.1 84.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.431 HG22 ' ND1' ' A' ' 27' ' ' HIS . 19.6 m -61.03 -43.14 99.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.028 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.23 91.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.591 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.4 ' HG2' HH21 ' A' ' 39' ' ' ARG . 22.6 mm100 -57.07 -46.2 82.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.936 0.398 . . . . 0.0 110.398 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -70.17 -45.19 67.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.434 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.431 ' ND1' HG22 ' A' ' 23' ' ' THR . 32.5 m80 -67.81 -17.75 64.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.259 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -50.46 -27.25 6.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.355 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -97.31 -48.29 5.38 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.324 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -65.92 -43.7 87.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.734 0.302 . . . . 0.0 110.919 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -148.82 87.02 5.58 Favored Pre-proline 0 C--O 1.238 0.448 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.683 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.63 -35.87 79.12 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.727 2.285 . . . . 0.0 112.174 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.81 -45.38 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.528 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.61 -44.4 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.731 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.72 84.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.461 ' CE2' HD11 ' A' ' 67' ' ' LEU . 49.4 t80 -51.39 -56.96 10.34 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.671 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -63.32 -46.99 84.09 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.125 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.5 t -56.75 -38.45 72.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.406 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.614 HH11 ' CD1' ' A' ' 63' ' ' LEU . 3.6 mmt180 -63.69 -41.03 98.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.439 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.57 -44.57 89.8 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.399 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -60.97 -48.83 79.98 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.615 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.08 94.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.95 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.634 ' SD ' HD23 ' A' ' 67' ' ' LEU . 17.6 mtp -62.54 -44.25 96.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -55.61 -47.63 76.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.518 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.0 m -63.38 -43.18 98.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.55 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.03 -57.89 11.9 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.429 -0.669 . . . . 0.0 111.429 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 21.7 ptp -62.51 -34.17 76.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.439 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -60.64 -48.89 79.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 86.3 mt -65.58 -48.79 81.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.859 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 21.0 p30 -146.72 123.07 10.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.466 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 p -49.34 -98.18 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.726 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.71 108.07 4.26 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.492 HG22 ' H ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -89.36 163.98 31.7 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.675 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.53 -47.97 18.82 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.12 1.88 . . . . 0.0 113.347 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.417 ' H ' HG23 ' A' ' 53' ' ' THR . 77.3 tt0 -78.85 -63.54 1.39 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.07 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.492 ' H ' HG22 ' A' ' 53' ' ' THR . 9.1 t -43.2 -24.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.796 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -42.6 -42.6 3.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.75 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -64.08 -41.84 97.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.692 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -59.47 -52.07 67.18 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.493 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.84 -42.65 94.74 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.475 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.8 t -59.74 -55.0 39.82 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.257 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -66.07 -39.44 90.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.154 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.614 ' CD1' HH11 ' A' ' 39' ' ' ARG . 45.8 tp -60.82 -43.05 98.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.09 0.471 . . . . 0.0 110.47 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.1 mmt -64.05 -38.71 92.06 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.054 0.454 . . . . 0.0 110.162 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.22 -34.9 77.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.649 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.15 -36.68 82.36 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.496 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.634 HD23 ' SD ' ' A' ' 43' ' ' MET . 0.3 OUTLIER -60.89 -57.62 11.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.177 0.513 . . . . 0.0 111.102 -179.144 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -62.24 -31.11 71.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.877 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.58 79.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.475 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.0 mt -63.43 -42.12 98.7 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.303 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.22 -47.4 84.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.396 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -67.4 -33.79 75.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.661 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -59.0 -53.96 52.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.754 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.09 -44.22 66.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.641 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.29 -100.97 1.44 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -92.12 88.47 6.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.824 0.345 . . . . 0.0 111.212 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -124.11 131.58 53.56 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.15 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.33 -39.62 95.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.114 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.59 -24.51 66.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mm -90.5 -40.04 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.714 0.292 . . . . 0.0 110.628 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.1 p -76.99 -54.87 6.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.972 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -83.2 121.33 26.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 111.066 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.594 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 2.0 pm0 -72.14 -38.62 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.944 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.414 HG13 ' H ' ' A' ' 85' ' ' VAL . 2.5 pt -60.58 -43.64 95.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.55 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.414 ' H ' HG13 ' A' ' 84' ' ' ILE . 94.8 t -65.06 -44.74 95.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.35 -39.56 97.92 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.294 -1.123 . . . . 0.0 110.294 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 97.6 m -62.46 -38.79 91.16 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.301 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.54 -40.04 95.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.745 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.467 ' NE2' ' CE1' ' A' ' 93' ' ' TYR . 28.2 t60 -61.0 -46.08 92.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.627 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.59 -43.07 98.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.607 ' OE2' HD23 ' A' ' 95' ' ' LEU . 2.5 tm-20 -65.64 -38.47 89.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.954 0.407 . . . . 0.0 109.91 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -62.88 -39.79 95.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.424 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.467 ' CE1' ' NE2' ' A' ' 89' ' ' HIS . 2.0 m-85 -61.52 -44.55 96.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.729 0.299 . . . . 0.0 110.475 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.67 -46.67 83.96 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.342 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.607 HD23 ' OE2' ' A' ' 91' ' ' GLU . 3.7 mm? -64.0 -40.15 95.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.078 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -56.65 -49.09 76.05 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.493 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 66.3 mtm -68.22 -36.42 79.49 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.542 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.447 ' CD2' ' ND1' ' A' ' 141' ' ' HIS . 37.9 t80 -58.78 -49.54 77.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.3 mt -66.64 -40.03 88.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -58.14 -47.28 83.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.516 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.484 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -64.89 -43.78 91.78 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.077 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -59.85 -43.34 94.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.793 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -62.99 -42.54 99.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.509 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.37 -38.97 88.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.575 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -62.49 -46.48 88.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.746 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -28.51 69.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.79 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.9 -11.32 46.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.4 -14.58 60.74 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -76.86 135.81 38.86 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -129.49 131.81 46.76 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.472 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -151.44 -178.17 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.422 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -81.09 -18.86 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.542 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -64.34 -42.42 96.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.435 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 115' ' ' ILE . 11.8 ptm -61.63 -41.2 97.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.974 0.416 . . . . 0.0 110.923 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.428 ' N ' ' CG ' ' A' ' 114' ' ' MET . 95.8 mt -63.37 -43.58 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.919 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -62.82 -37.19 85.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.047 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.1 m -58.57 -45.69 88.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.176 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.484 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 46.5 m-85 -64.53 -43.48 93.89 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.964 0.411 . . . . 0.0 110.331 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -61.34 -43.51 98.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.864 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.9 m -61.67 -42.84 99.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.111 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -53.0 -50.13 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.118 0.485 . . . . 0.0 110.093 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m -59.31 -34.16 71.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.332 0.587 . . . . 0.0 109.959 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.36 -40.0 94.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.234 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 124' ' ' LEU . 0.5 OUTLIER -61.14 -40.07 92.44 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.64 179.466 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 129' ' ' THR . 37.5 mm -58.04 -45.69 88.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.64 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.472 ' O ' ' OG1' ' A' ' 129' ' ' THR . 97.8 m-20 -55.25 -48.82 73.4 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-O 121.453 0.644 . . . . 0.0 110.517 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.619 ' O ' HG22 ' A' ' 130' ' ' VAL . 47.7 t -58.32 -28.37 35.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.949 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.9 mt -83.4 -32.74 9.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.757 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 38.5 p -60.4 -25.89 66.25 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.18 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 127' ' ' VAL . 10.9 m -52.8 -34.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.305 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -67.96 -38.49 82.83 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.88 0.372 . . . . 0.0 111.115 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 103.24 -11.97 55.11 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.431 ' O ' HD22 ' A' ' 134' ' ' LEU . 95.2 mt-10 -91.69 104.45 16.91 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 122.752 -0.263 . . . . 0.0 110.543 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.431 HD22 ' O ' ' A' ' 133' ' ' GLU . 0.9 OUTLIER -125.82 119.13 27.06 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.389 0.614 . . . . 0.0 110.274 179.37 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.5 HG23 ' H ' ' A' ' 138' ' ' ASN . 1.2 t -92.47 165.96 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.813 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.78 -41.16 94.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.983 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -56.66 -48.08 78.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.366 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.5 ' H ' HG23 ' A' ' 135' ' ' THR . 86.9 m-20 -61.22 -40.66 94.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.976 0.417 . . . . 0.0 110.488 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.37 -40.92 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.242 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -58.14 -43.49 87.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.543 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.447 ' ND1' ' CD2' ' A' ' 98' ' ' PHE . 18.1 m-70 -62.96 -43.57 98.42 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 44.5 ttp85 -60.54 -48.02 83.59 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.016 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -67.44 -44.55 78.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.853 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 144' ' ' TYR . 29.7 t80 -60.21 -45.46 93.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.335 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.36 77.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.997 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -64.14 -38.23 90.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -68.39 -54.82 14.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.679 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -67.34 -38.46 84.89 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.916 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.64 -51.25 70.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.838 0.351 . . . . 0.0 110.363 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.1 m -65.26 -41.55 94.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.509 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.457 ' CE1' ' SG ' ' A' ' 155' ' ' CYS . 33.1 t80 -56.72 -47.86 79.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.13 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 86.6 mt -64.38 -43.97 97.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.523 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -58.73 -49.6 77.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.021 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -62.67 -43.94 97.52 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.935 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' CYS . . . . . 0.457 ' SG ' ' CE1' ' A' ' 151' ' ' TYR . 84.8 m -65.22 -50.64 65.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 156' ' ' LEU . 10.8 tp -64.24 -35.37 80.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.838 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -57.39 -42.0 81.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.267 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -82.59 8.1 12.8 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.461 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 69.13 24.08 76.01 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -105.73 143.02 34.47 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 110.482 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 96.9 m -79.46 118.38 72.13 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.376 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -68.83 159.36 54.12 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 121.387 1.391 . . . . 0.0 112.735 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.175 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 ptp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.79 151.78 29.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.52 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.17 148.11 27.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.258 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mt -85.75 149.98 24.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.192 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.01 161.46 24.76 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -51.98 158.68 4.58 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 122.344 2.029 . . . . 0.0 111.808 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.2 mt -111.65 155.74 42.56 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.4 163.99 7.68 Favored 'Trans proline' 0 N--CA 1.507 2.293 0 C-N-CA 122.272 1.982 . . . . 0.0 111.654 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.06 127.48 19.64 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.482 2.121 . . . . 0.0 111.898 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.5 tp -47.78 111.6 1.78 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.8 146.63 65.87 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 121.473 1.449 . . . . 0.0 111.732 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.31 93.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.005 0.431 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.615 ' CD ' ' H ' ' A' ' 13' ' ' GLN . 5.3 pm0 -66.56 -31.82 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.451 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -85.9 15.63 4.76 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.456 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -57.53 -31.85 66.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.841 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.6 m -59.79 -42.23 92.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.237 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.5 pt -92.74 18.04 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.111 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -54.96 -56.33 20.86 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 120.828 0.347 . . . . 0.0 110.517 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -68.82 -28.72 67.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.362 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -58.72 -63.86 1.14 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.181 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.85 -39.38 94.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.872 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -59.49 -43.62 93.28 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.498 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.3 m -61.44 -41.97 98.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.028 0.442 . . . . 0.0 110.096 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.5 -38.21 90.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.779 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -59.56 -51.59 69.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.266 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.69 -37.54 86.76 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.329 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -65.04 -31.86 73.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.13 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -47.3 -32.52 4.78 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.421 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -80.27 -49.7 11.22 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.842 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -68.77 -41.75 78.39 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.302 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -154.46 121.53 2.84 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -75.15 -30.78 6.6 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 121.969 1.779 . . . . 0.0 112.637 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.4 t -62.4 -44.85 99.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.799 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.4 t -60.83 -45.12 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.075 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.77 85.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -53.17 -58.3 7.53 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.942 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -63.31 -46.0 88.75 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.065 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.7 t -58.07 -42.83 86.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.084 0.468 . . . . 0.0 110.207 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.687 HH11 HD11 ' A' ' 63' ' ' LEU . 53.7 ttm-85 -61.42 -41.48 97.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.43 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.2 tp -55.39 -44.34 76.04 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.022 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 35.2 t80 -60.0 -48.25 82.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.415 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.59 83.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.938 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.6 mtp -63.09 -64.29 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.655 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -59.53 -39.9 85.45 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.33 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.9 m -61.48 -52.08 66.02 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.81 -35.71 91.25 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 18.5 ttp -63.28 -41.13 98.96 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 120.857 0.361 . . . . 0.0 110.499 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.5 -40.44 91.36 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.357 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.3 mm -41.49 -87.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.821 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -100.63 -115.48 0.17 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.645 0.26 . . . . 0.0 110.443 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.3 m -155.67 -117.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.892 0.377 . . . . 0.0 110.152 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -137.96 96.85 3.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.141 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -106.81 154.46 40.15 Favored Pre-proline 0 N--CA 1.468 0.472 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.047 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -34.18 -30.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.818 2.345 . . . . 0.0 112.247 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' THR . 1.5 tm-20 -84.9 -60.92 1.91 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.446 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.419 ' H ' HG23 ' A' ' 53' ' ' THR . 9.1 t -62.73 -24.23 67.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -42.58 -54.23 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.233 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -64.58 -39.16 93.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.47 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -59.17 -54.69 44.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.506 ' O ' ' SD ' ' A' ' 64' ' ' MET . 80.4 mt -68.34 -43.09 78.24 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.475 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.1 t -61.54 -50.4 72.83 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.064 0.459 . . . . 0.0 111.209 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -65.3 -42.97 92.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.687 HD11 HH11 ' A' ' 39' ' ' ARG . 37.4 tp -62.83 -38.83 92.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.307 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -59.93 -44.01 94.6 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.885 0.374 . . . . 0.0 110.61 178.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.43 -38.76 90.97 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.544 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.02 -45.31 87.13 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.842 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.12 -42.35 98.37 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.285 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -61.73 -37.84 85.7 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.08 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.18 80.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.687 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.3 mt -62.98 -41.96 99.71 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.306 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -61.84 -49.25 77.01 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.389 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -66.1 -40.7 90.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.095 0.474 . . . . 0.0 110.544 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -54.0 -53.75 48.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.522 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.414 HD22 ' OD1' ' A' ' 77' ' ' ASN . 85.7 mt -71.86 -43.36 65.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.997 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.76 -94.94 0.14 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 28.5 p-10 -90.04 84.06 6.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.84 0.353 . . . . 0.0 111.422 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.414 ' OD1' HD22 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -122.77 136.29 54.82 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.238 179.126 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 82' ' ' GLN . 84.4 mt-10 -63.72 -43.98 94.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.739 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.56 95.15 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.838 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.6 mm -70.74 -43.69 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.794 0.331 . . . . 0.0 110.79 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 59.0 p -81.36 -63.58 1.37 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.75 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 78' ' ' GLU . 62.4 mt-30 -76.18 117.26 17.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.023 0.44 . . . . 0.0 110.176 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.598 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -68.22 -40.7 82.03 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.645 -179.505 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.4 HG13 ' H ' ' A' ' 85' ' ' VAL . 3.7 pt -56.19 -42.85 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.469 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.4 ' H ' HG13 ' A' ' 84' ' ' ILE . 96.1 t -65.61 -44.74 93.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.82 0.343 . . . . 0.0 110.505 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.53 -42.83 99.66 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.62 -40.78 84.64 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.67 84.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.331 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -61.9 -50.65 71.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.638 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.74 -42.96 97.79 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.449 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -56.65 -46.33 81.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.932 0.396 . . . . 0.0 110.489 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.91 -39.08 87.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.321 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -47.34 86.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.63 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.93 89.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.16 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.96 -43.83 98.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.469 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.88 -48.17 83.04 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.344 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 69.4 mtm -69.63 -40.09 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.196 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -60.88 -46.52 90.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.678 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.3 -38.17 89.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.416 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -56.66 -49.45 75.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.434 ' HB3' ' CE1' ' A' ' 118' ' ' PHE . . . -65.78 -47.92 73.54 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.417 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -58.1 -41.61 83.88 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.352 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -62.55 -41.68 99.05 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.687 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -68.28 -35.05 77.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.029 0.442 . . . . 0.0 110.281 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.34 -49.42 77.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.558 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -67.52 -26.8 66.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.567 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.95 -22.21 66.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.64 30.71 11.25 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -132.49 140.68 48.46 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.79 0.328 . . . . 0.0 110.525 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -123.77 135.36 53.77 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.453 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -146.83 158.47 43.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.203 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -61.52 -26.28 67.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.402 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -61.01 -33.99 74.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.376 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 88.9 mtp -61.47 -44.84 96.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.809 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.77 -44.58 89.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.938 0.399 . . . . 0.0 110.441 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -64.27 -40.8 96.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.276 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.4 t -61.56 -44.82 96.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.301 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.434 ' CE1' ' HB3' ' A' ' 101' ' ' ALA . 1.1 m-85 -64.96 -42.36 94.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.802 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -60.98 -45.63 94.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.164 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.2 m -62.08 -43.06 99.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.821 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.74 -49.91 71.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.682 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.5 t -58.6 -40.27 82.77 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.113 0.482 . . . . 0.0 111.097 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.95 -40.86 90.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.293 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.7 tp -62.37 -40.8 97.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.626 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.474 ' O ' HG23 ' A' ' 129' ' ' THR . 49.5 mm -53.71 -46.85 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.078 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -55.75 -46.03 77.92 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.261 0.553 . . . . 0.0 109.817 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.619 ' O ' HG22 ' A' ' 130' ' ' VAL . 63.5 t -59.49 -26.71 35.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.372 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 98.6 mt -83.05 -29.99 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 120.951 0.405 . . . . 0.0 110.498 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.608 HG22 HD11 ' A' ' 134' ' ' LEU . 73.1 p -65.85 -30.42 71.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.747 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 127' ' ' VAL . 4.0 m -52.82 -22.76 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.828 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -63.14 -29.87 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.57 -15.57 55.74 Favored Glycine 0 N--CA 1.465 0.604 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -116.18 122.81 46.15 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.608 HD11 HG22 ' A' ' 129' ' ' THR . 1.6 mt -120.31 145.22 47.32 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.051 0.453 . . . . 0.0 110.289 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.454 HG23 ' H ' ' A' ' 138' ' ' ASN . 1.2 t -104.08 160.55 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.537 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -61.59 -41.9 98.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.525 ' O ' ' ND1' ' A' ' 141' ' ' HIS . 93.4 mt-10 -55.42 -49.9 71.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.454 ' H ' HG23 ' A' ' 135' ' ' THR . 98.3 m-20 -64.95 -40.85 95.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 43.6 t -60.93 -47.02 95.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 120.965 0.412 . . . . 0.0 110.002 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -64.77 -44.05 91.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.804 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 137' ' ' GLU . 2.3 m80 -59.7 -38.19 80.92 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -61.54 -54.71 39.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.992 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -67.29 -42.28 84.04 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.928 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.45 -44.71 95.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.42 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.573 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -49.69 75.89 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 111.104 -179.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -72.23 -45.09 61.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.053 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -59.18 -45.97 89.64 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.03 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.35 -53.16 60.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 0.0 111.082 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.6 m -64.23 -41.65 96.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.482 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 80.9 t80 -57.75 -47.71 81.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.855 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.77 -43.09 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.96 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -49.0 77.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.696 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -65.7 -39.78 91.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.694 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 89.8 m -59.24 -48.1 82.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.202 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.57 -40.63 97.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.394 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -58.62 -45.33 89.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.974 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -74.83 -15.71 60.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.814 0.34 . . . . 0.0 110.777 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 89.48 12.4 62.92 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -88.11 143.75 26.89 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.158 0.504 . . . . 0.0 110.285 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.6 p -79.75 116.48 61.29 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.748 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -52.34 152.9 14.41 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.865 1.71 . . . . 0.0 112.505 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.214 179.578 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.54 153.83 3.65 Favored Pre-proline 0 N--CA 1.445 -0.716 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.655 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.449 ' C ' HD22 ' A' ' 7' ' ' LEU . 34.8 Cg_exo -59.62 147.57 91.28 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 123.041 2.494 . . . . 0.0 112.244 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.849 HD22 ' N ' ' A' ' 7' ' ' LEU . 2.2 mm? -98.35 141.45 22.97 Favored Pre-proline 0 N--CA 1.449 -0.521 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.145 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.8 173.35 0.55 Allowed 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.541 2.16 . . . . 0.0 112.118 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -53.85 135.91 64.38 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.665 2.243 . . . . 0.0 112.177 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tt -92.76 111.83 52.95 Favored Pre-proline 0 N--CA 1.444 -0.739 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.92 164.54 35.29 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.706 2.27 . . . . 0.0 112.146 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.65 -20.33 63.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -60.25 -40.34 89.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.976 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.46 ' CZ ' ' OD2' ' A' ' 50' ' ' ASP . 48.5 m-85 -99.12 18.59 17.03 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.109 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -65.83 -30.47 71.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.999 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 t -66.85 -34.17 77.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.631 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.0 pt -100.86 2.83 10.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.722 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -54.55 -41.08 69.33 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.637 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -63.64 -34.1 77.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.901 0.382 . . . . 0.0 110.561 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.414 ' CD2' ' CE2' ' A' ' 41' ' ' TYR . 76.1 m80 -66.51 -63.82 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.323 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 22' ' ' ARG . 3.2 pp -58.29 -33.77 69.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.338 -179.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.557 ' N ' HD12 ' A' ' 21' ' ' LEU . 65.1 ttt-85 -60.7 -47.53 85.84 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.357 0.599 . . . . 0.0 110.27 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.404 HG22 ' HD1' ' A' ' 27' ' ' HIS . 6.5 m -63.5 -38.11 89.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.019 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.56 81.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.456 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.724 ' NE2' HH22 ' A' ' 39' ' ' ARG . 74.0 mm-40 -57.59 -36.69 72.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.115 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -69.93 -42.91 72.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.07 0.462 . . . . 0.0 110.736 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 30' ' ' ARG . 16.2 m80 -65.04 -32.86 74.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.618 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -42.59 -31.33 0.44 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.557 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -87.73 -28.09 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.677 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' HIS . 23.7 ttm180 -88.44 -52.8 4.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' HIS . 19.9 m-20 -151.98 126.1 4.45 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.762 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.55 -26.71 11.6 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.535 2.156 . . . . 0.0 112.159 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.7 -47.38 91.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.006 0.432 . . . . 0.0 110.768 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.6 t -60.67 -43.89 95.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.369 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.16 82.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.441 ' CD2' HD11 ' A' ' 67' ' ' LEU . 37.4 t80 -50.79 -53.59 30.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.37 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -64.46 -40.3 95.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.733 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.25 -48.04 83.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.724 HH22 ' NE2' ' A' ' 25' ' ' GLN . 79.1 mtt-85 -61.24 -34.8 75.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.485 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.16 -44.12 95.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.041 0.448 . . . . 0.0 110.512 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CE2' ' CD2' ' A' ' 20' ' ' HIS . 61.7 t80 -62.53 -43.98 97.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.671 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.05 94.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.6 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.573 ' SD ' ' SD ' ' A' ' 64' ' ' MET . 7.4 mtt -61.42 -47.16 87.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.038 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.415 HE22 ' HB ' ' A' ' 130' ' ' VAL . 36.4 mt-30 -55.95 -55.79 28.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.649 0.593 . . . . 0.0 110.691 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -64.08 -26.1 68.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.9 0.381 . . . . 0.0 110.423 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.468 ' O ' ' OD1' ' A' ' 50' ' ' ASP . . . -67.82 -54.56 17.75 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 20.1 ptp -60.99 -37.35 82.18 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.606 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -61.99 -44.82 95.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.722 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.9 mt -66.81 -45.53 87.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.494 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.468 ' OD1' ' O ' ' A' ' 46' ' ' GLY . 1.1 p30 -145.03 102.37 3.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.215 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.1 m -48.89 -91.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.551 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.586 ' HZ2' ' HB2' ' A' ' 52' ' ' LYS . 7.2 mtmp? -132.25 98.15 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.412 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.2 m -104.21 129.68 24.71 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -40.72 -30.99 0.6 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.62 2.213 . . . . 0.0 112.316 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -85.46 -60.22 2.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.555 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 57.7 m -61.37 -26.6 67.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.45 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -42.94 -39.38 2.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.565 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 58' ' ' LYS . 5.0 mptp? -63.28 -45.27 92.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.675 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -63.76 -43.21 97.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.326 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.541 ' O ' ' SD ' ' A' ' 64' ' ' MET . 63.2 mt -63.03 -46.0 89.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.349 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 p -58.99 -44.66 91.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.489 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -66.57 -46.77 74.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.904 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.28 -43.75 98.37 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.281 0.562 . . . . 0.0 110.915 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.573 ' SD ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -60.12 -41.34 92.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.19 179.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.72 -39.08 90.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.255 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.472 ' NE2' HD21 ' A' ' 7' ' ' LEU . 54.8 mt-30 -53.29 -48.1 68.64 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.516 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.441 HD11 ' CD2' ' A' ' 36' ' ' TYR . 21.1 tp -62.61 -42.02 99.34 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.184 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.3 -38.27 88.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.945 0.402 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.73 -46.03 91.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.648 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.06 -39.57 90.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -58.28 -48.75 79.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.496 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -73.94 -31.17 62.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.612 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -56.54 -43.95 80.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.59 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 mt -86.82 -47.23 9.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.696 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.58 -97.51 1.83 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -91.86 89.15 6.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.459 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -128.5 130.47 47.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.676 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -63.39 -38.93 93.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.603 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.1 -38.77 83.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.927 0.394 . . . . 0.0 110.585 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.7 mm -80.73 -49.24 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.8 p -67.6 -48.1 67.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -97.67 115.12 27.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.366 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.496 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 18.3 pt-20 -70.63 -36.62 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.844 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pt -57.81 -44.61 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.453 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.82 -45.24 99.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.104 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.87 -35.23 91.74 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.565 ' SG ' ' CZ ' ' A' ' 131' ' ' PHE . 70.7 m -63.92 -47.36 80.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.85 0.357 . . . . 0.0 110.592 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.05 85.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.473 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -62.67 -45.74 91.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.498 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.58 -44.67 95.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.739 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -58.26 -42.08 85.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.314 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.407 HD22 ' C ' ' A' ' 92' ' ' ASN . 0.3 OUTLIER -62.81 -39.61 94.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.447 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.32 -45.55 91.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.658 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.457 ' HB2' HD23 ' A' ' 124' ' ' LEU . . . -63.54 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.364 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 95' ' ' LEU . 1.9 mm? -63.1 -42.3 99.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.665 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -58.94 -47.18 85.98 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.595 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 77.0 mtm -67.87 -36.79 80.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.602 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -61.39 -47.88 83.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.163 0.506 . . . . 0.0 110.401 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.04 -42.02 97.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.474 ' CE2' ' OE1' ' A' ' 104' ' ' GLU . 78.9 t80 -53.97 -46.78 71.76 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.265 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.464 ' O ' ' SD ' ' A' ' 114' ' ' MET . . . -62.13 -45.14 94.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.734 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -62.57 -37.14 85.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.172 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.69 -41.33 97.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.424 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.474 ' OE1' ' CE2' ' A' ' 100' ' ' TYR . 45.1 mt-10 -65.36 -37.12 86.09 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.655 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.2 -44.16 96.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.615 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -62.08 -35.34 78.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.03 -13.5 58.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.533 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.1 26.93 57.06 Favored Glycine 0 CA--C 1.518 0.243 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -133.72 138.61 45.91 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.796 0.331 . . . . 0.0 110.256 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -124.17 136.88 54.5 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.973 0.415 . . . . 0.0 110.226 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -138.73 164.92 28.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.459 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -58.96 -19.12 40.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.544 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -66.02 -37.59 86.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.603 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.489 ' O ' ' OG ' ' A' ' 117' ' ' SER . 5.7 tpp -58.46 -46.76 85.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.615 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 62.7 mt -64.02 -44.41 97.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.33 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.94 -40.16 96.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' A' ' 114' ' ' MET . 62.8 p -62.14 -46.25 89.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.638 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -62.66 -42.27 99.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -62.58 -42.42 99.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.252 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 92.1 m -62.45 -42.66 99.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.277 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.7 89.29 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.383 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.0 t -58.26 -40.72 82.56 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.444 0.64 . . . . 0.0 110.262 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.29 -43.22 92.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.482 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' A' ' 94' ' ' ALA . 7.3 tp -62.44 -39.69 94.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.278 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 129' ' ' THR . 39.9 mm -54.06 -46.18 65.94 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.078 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.49 ' O ' ' OG1' ' A' ' 129' ' ' THR . 12.4 m-20 -57.71 -47.97 80.89 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.845 0.831 . . . . 0.0 110.343 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.635 ' O ' HG22 ' A' ' 130' ' ' VAL . 43.8 t -54.1 -27.28 16.2 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.085 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 97.8 mt -83.4 -33.82 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.25 0.548 . . . . 0.0 110.361 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 75.7 p -62.05 -23.71 66.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.916 0.389 . . . . 0.0 110.475 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 127' ' ' VAL . 10.2 m -53.86 -33.15 23.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.53 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.565 ' CZ ' ' SG ' ' A' ' 87' ' ' CYS . 57.9 m-85 -63.41 -6.01 4.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.49 2.05 78.61 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -126.07 138.57 53.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 134' ' ' LEU . 6.4 mt -127.23 140.83 51.96 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.968 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 10.6 p -90.14 160.96 15.99 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.36 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.9 -41.93 98.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.066 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -69.06 -38.11 78.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.599 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -59.28 -48.39 81.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.452 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.11 -44.29 95.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.342 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -62.9 -43.03 99.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.693 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.93 -42.08 93.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -57.09 -51.34 69.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.308 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -63.48 -43.31 97.64 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.418 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -60.56 -46.48 90.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.249 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.59 95.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.686 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -60.77 -45.1 95.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.481 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -68.64 -50.85 48.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.609 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -59.09 -45.57 90.52 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.924 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.16 78.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.341 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 25.3 m -70.09 -45.04 67.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -57.73 -48.69 78.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.472 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.5 -44.13 99.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.448 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -64.27 -44.1 92.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.396 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -64.37 -41.29 96.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.783 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 5.5 m -59.09 -47.77 84.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.428 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.76 -41.02 98.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.8 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -62.0 -39.26 91.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.511 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -80.24 -5.32 55.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.529 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 76.04 32.86 51.71 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -114.65 139.2 49.84 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.963 0.411 . . . . 0.0 110.498 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.88 118.76 71.02 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.58 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.75 151.17 15.58 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.611 2.207 . . . . 0.0 112.27 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . 0.522 ' O ' ' NE2' ' A' ' 163' ' ' GLN . 1.7 pm0 . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.485 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.502 ' CD1' HH22 ' A' ' 39' ' ' ARG . 4.9 mt . . . . . 0 CA--C 1.517 -0.311 0 CA-C-O 120.916 0.389 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.32 148.28 80.44 Favored Pre-proline 0 CA--C 1.537 0.478 0 C-N-CA 120.244 -0.583 . . . . 0.0 110.487 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.05 138.48 21.79 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.509 2.139 . . . . 0.0 112.577 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.491 ' CD1' ' NE2' ' A' ' 66' ' ' GLN . 6.2 mp -89.35 156.15 48.52 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.474 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -69.42 163.0 39.66 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.157 1.904 . . . . 0.0 112.101 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -50.28 128.14 22.0 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.427 2.085 . . . . 0.0 112.042 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.455 ' CD1' HD21 ' A' ' 21' ' ' LEU . 1.7 tt -78.41 116.63 60.76 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.91 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.39 157.95 48.82 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.39 2.06 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 -34.67 72.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.655 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -54.96 -18.92 5.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.512 ' HD2' HD11 ' A' ' 17' ' ' ILE . 16.2 m-85 -115.35 21.87 13.73 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.02 0.438 . . . . 0.0 110.628 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -13.14 62.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.5 m -72.46 -16.61 61.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.706 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.512 HD11 ' HD2' ' A' ' 14' ' ' PHE . 15.6 pt -126.91 23.02 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.049 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -61.55 -45.67 93.17 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -71.29 -32.09 68.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -60.07 -64.85 0.8 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.102 0.477 . . . . 0.0 111.105 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -59.33 -38.67 80.9 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.375 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -55.89 -42.17 75.54 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 m -61.98 -45.26 94.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.148 0.499 . . . . 0.0 109.909 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.91 78.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.844 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.471 ' O ' ' OD2' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -61.11 -45.93 92.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.855 -179.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' A' ' 26' ' ' GLU . 19.2 pt-20 -78.07 -27.16 48.52 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.875 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -82.27 -16.96 47.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.455 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -47.12 -41.86 18.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.159 0.504 . . . . 0.0 110.462 -179.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -83.62 -43.2 15.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.517 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.23 -48.24 82.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.994 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -155.64 114.56 2.23 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.942 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.88 -30.63 16.78 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.215 1.944 . . . . 0.0 112.205 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.45 -45.26 96.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.489 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.4 t -64.23 -44.33 97.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.336 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.08 86.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 31.2 t80 -60.14 -50.89 71.92 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.911 0.386 . . . . 0.0 110.783 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -66.69 -42.54 86.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.794 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.6 m -59.33 -41.98 90.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.502 HH22 ' CD1' ' A' ' 4' ' ' LEU . 95.1 mtt180 -64.69 -36.7 85.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.468 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.8 tp -59.16 -49.22 78.69 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.675 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -62.37 -44.28 96.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.055 0.455 . . . . 0.0 110.825 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.23 78.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.058 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.574 ' SD ' ' SD ' ' A' ' 64' ' ' MET . 5.4 mtm -62.76 -58.29 7.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.537 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -42.72 -48.09 5.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.964 0.411 . . . . 0.0 110.545 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.6 m -65.84 -43.86 87.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.66 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -54.76 -60.45 8.67 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 23.2 ptp -55.74 -36.36 67.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.672 0.272 . . . . 0.0 110.399 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -56.7 -37.01 70.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.076 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.7 mt -75.6 -70.0 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.0 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -115.92 107.94 15.63 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.054 0.454 . . . . 0.0 109.885 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 p -54.15 -83.51 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.358 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -135.46 97.72 3.76 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -107.76 131.44 21.73 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.055 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -38.13 -35.87 0.45 Allowed 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.152 1.901 . . . . 0.0 112.66 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -86.32 -60.17 2.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 58.1 m -57.48 -29.05 63.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.605 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -42.49 -36.04 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.246 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -63.22 -49.58 73.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.61 -49.01 79.26 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.997 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.15 -42.51 98.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.778 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.4 t -63.74 -53.57 48.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.913 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -43.96 97.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.284 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.5 tp -61.22 -43.65 98.53 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 119.901 -0.719 . . . . 0.0 110.271 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.574 ' SD ' ' SD ' ' A' ' 43' ' ' MET . 8.4 mmt -63.83 -41.19 97.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.374 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 9.9 m-20 -65.11 -28.9 69.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.007 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.491 ' NE2' ' CD1' ' A' ' 7' ' ' LEU . 10.9 mt-30 -69.44 -43.17 73.86 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.078 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 tp -62.76 -45.02 94.61 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.983 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 0.8 OUTLIER -64.22 -29.83 70.91 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.02 0.438 . . . . 0.0 110.171 -179.599 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.01 -41.24 91.29 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.254 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.51 -41.1 98.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.951 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 75' ' ' GLY . 36.3 ttmt -60.68 -44.62 96.29 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.928 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -67.79 -35.66 79.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -57.85 -50.94 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.669 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.8 mt -89.16 -37.26 15.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.992 0.425 . . . . 0.0 110.728 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . 66.93 -93.06 0.21 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -95.91 87.46 4.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 110.887 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -115.21 143.24 45.55 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.031 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -60.15 -40.45 89.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.405 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.67 -41.71 71.71 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.247 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mm -68.91 -43.67 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.559 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.4 p -69.85 -45.37 67.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.029 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -102.95 115.97 31.63 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.255 0.55 . . . . 0.0 110.813 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.69 -34.21 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.535 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 pt -63.53 -42.71 97.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.537 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.99 -46.66 95.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.971 0.415 . . . . 0.0 110.112 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.17 -35.61 92.31 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.34 -49.54 75.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.814 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.21 82.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.533 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -59.75 -49.62 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.51 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.99 -44.63 95.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.988 0.423 . . . . 0.0 110.403 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.24 -46.09 76.02 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.617 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.505 HD22 ' C ' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -61.17 -39.31 89.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.908 0.385 . . . . 0.0 110.438 -179.692 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -51.72 68.62 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.091 0.472 . . . . 0.0 110.773 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.86 -36.11 74.05 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.45 -40.67 97.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.4 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -47.45 85.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -69.41 -37.56 77.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.752 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -58.44 -48.3 81.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.956 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.65 -40.95 93.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.843 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.48 -46.12 89.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.763 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.479 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -61.87 -46.25 90.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.056 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -62.28 -44.0 97.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.038 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -62.4 -43.73 98.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.01 0.434 . . . . 0.0 110.843 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.558 ' CD ' HD21 ' A' ' 113' ' ' ASN . 75.9 tt0 -62.32 -37.98 87.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.51 -47.3 84.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.774 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -67.95 -17.67 64.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.395 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 104' ' ' GLU . . . -62.42 -22.02 65.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.437 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 97.63 1.96 58.78 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -129.25 151.86 49.45 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.734 0.302 . . . . 0.0 110.196 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.514 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 0.5 OUTLIER -132.05 144.03 50.47 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.5 -179.072 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -146.86 160.9 41.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.231 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -55.73 -23.44 29.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.558 HD21 ' CD ' ' A' ' 104' ' ' GLU . 28.3 p-10 -60.26 -39.9 88.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.726 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.472 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 30.1 ttm -61.01 -42.66 98.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.686 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.66 -44.67 98.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.49 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -63.9 -38.81 92.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.4 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.4 t -62.09 -46.99 86.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.434 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.479 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 1.1 m-85 -67.34 -41.85 84.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.523 ' CE2' HD11 ' A' ' 123' ' ' LEU . 32.1 t80 -58.37 -42.09 86.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.047 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 35.6 m -63.91 -43.62 95.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.727 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.45 -48.14 79.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 125' ' ' ILE . 16.6 m -58.98 -42.71 90.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.954 0.406 . . . . 0.0 110.431 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 119' ' ' TYR . 74.0 mt -62.26 -44.94 95.39 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.976 0.417 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.9 tp -63.17 -39.51 94.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.313 0.577 . . . . 0.0 109.987 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 129' ' ' THR . 54.5 mt -56.86 -42.22 77.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.537 ' O ' ' OG1' ' A' ' 129' ' ' THR . 87.7 m-20 -60.8 -41.94 96.62 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 122.411 1.101 . . . . 0.0 109.328 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.741 ' O ' HG22 ' A' ' 130' ' ' VAL . 57.6 t -60.05 -25.9 34.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.742 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.22 -26.63 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 121.25 0.548 . . . . 0.0 110.684 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.556 ' HA ' HD23 ' A' ' 134' ' ' LEU . 41.1 p -66.13 -31.0 71.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.57 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 127' ' ' VAL . 16.6 m -54.24 -21.83 6.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.75 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -62.42 -43.24 99.3 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.399 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.31 -22.12 14.12 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 2.8 pm0 -111.3 117.65 33.73 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 120.772 0.32 . . . . 0.0 110.168 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -135.71 126.2 26.86 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.704 -179.579 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.448 ' H ' HG22 ' A' ' 135' ' ' THR . 0.5 OUTLIER -79.83 161.87 25.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.304 179.4 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 137' ' ' GLU . 18.3 p-10 -63.39 -46.14 87.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.745 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 136' ' ' ASP . 73.4 tt0 -46.62 -56.45 6.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.271 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.472 HD22 ' N ' ' A' ' 138' ' ' ASN . 1.6 m120 -58.7 -40.71 84.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.383 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.38 -42.06 94.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.948 0.404 . . . . 0.0 110.2 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -58.55 -39.2 79.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.147 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -65.16 -38.88 91.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.575 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -57.68 -57.37 13.04 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -64.84 -38.66 91.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.017 0.437 . . . . 0.0 110.434 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -59.38 -46.25 89.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.428 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.55 -40.97 93.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.086 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -53.49 -45.71 69.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.905 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -75.0 -47.19 30.35 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.048 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -60.65 -47.27 87.01 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.16 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.39 -50.67 70.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.619 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 18.2 m -65.13 -43.21 92.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -57.41 -52.35 65.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.22 -44.34 95.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.669 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . 0.506 ' CD2' ' NZ ' ' A' ' 157' ' ' LYS . 85.7 t60 -56.28 -45.95 79.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.764 0.316 . . . . 0.0 110.785 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.585 HD22 ' N ' ' A' ' 154' ' ' ASN . 1.7 m120 -65.39 -37.37 86.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 66.3 m -61.31 -51.11 70.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.222 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.37 -39.67 95.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.303 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.506 ' NZ ' ' CD2' ' A' ' 153' ' ' HIS . 3.6 ttpm? -62.33 -32.03 72.75 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.8 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -86.23 -11.94 51.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 83.25 25.87 46.24 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -112.69 141.49 46.42 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.064 0.459 . . . . 0.0 110.479 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 4.5 m -78.56 129.26 74.91 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.728 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.85 168.35 23.24 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.553 2.168 . . . . 0.0 112.3 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.21 179.855 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.894 0.378 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.77 153.36 88.13 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.578 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.02 149.98 77.45 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.71 2.274 . . . . 0.0 111.871 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.424 HD11 ' NE2' ' A' ' 66' ' ' GLN . 4.8 mp -104.34 153.55 38.96 Favored Pre-proline 0 C--O 1.234 0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.059 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.77 163.84 1.19 Allowed 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.295 1.997 . . . . 0.0 112.016 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.7 135.98 49.68 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.951 2.434 . . . . 0.0 112.013 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -75.39 119.12 75.56 Favored Pre-proline 0 N--CA 1.445 -0.685 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.287 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.97 156.14 38.65 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.624 2.216 . . . . 0.0 112.005 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.16 -25.97 59.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.476 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.54 -43.26 94.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.652 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.7 m-30 -85.06 10.34 12.26 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.113 0.482 . . . . 0.0 110.763 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -59.31 -28.12 66.49 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.611 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.9 p -69.54 -14.42 62.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.25 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.9 pt -122.53 23.4 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.565 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -66.88 -54.21 24.54 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.865 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -68.34 -20.51 64.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.414 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.475 ' CD2' ' CE2' ' A' ' 41' ' ' TYR . 18.9 m80 -69.79 -65.67 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.045 0.45 . . . . 0.0 111.05 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 22' ' ' ARG . 1.5 pp -63.17 -34.72 78.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.606 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' N ' HD12 ' A' ' 21' ' ' LEU . 32.0 ttm-85 -60.42 -46.88 88.43 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.949 0.404 . . . . 0.0 110.721 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.4 m -68.47 -30.19 68.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.392 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.37 -57.06 14.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -62.36 -38.93 91.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.549 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -60.47 -51.23 70.35 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.718 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' ARG . 1.6 m80 -61.72 -37.13 83.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.682 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -42.68 -33.2 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.3 -42.64 99.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.424 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' HIS . 26.0 mmt180 -85.96 -52.29 5.81 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.993 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -135.53 120.62 13.6 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.629 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.86 -28.1 9.72 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.65 2.234 . . . . 0.0 112.084 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -62.27 -45.4 98.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.3 t -60.31 -44.77 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.103 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.69 -50.46 73.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.522 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -47.78 -58.54 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.798 0.333 . . . . 0.0 110.893 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -62.04 -46.06 90.83 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.173 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 94.3 m -57.06 -36.69 70.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.183 0.516 . . . . 0.0 110.183 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -41.91 92.2 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.363 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.3 tp -56.87 -41.64 78.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.848 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.533 ' CD1' ' OD1' ' A' ' 126' ' ' ASP . 51.7 t80 -60.73 -46.92 88.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.224 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.69 -42.81 89.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.562 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.492 ' O ' ' SD ' ' A' ' 47' ' ' MET . 30.3 mtt -53.98 -60.8 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.454 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 97.7 mt-30 -48.33 -53.17 18.39 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.41 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.6 p -62.04 -41.94 98.64 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.908 0.385 . . . . 0.0 111.271 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.72 -50.53 66.58 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 121.072 -0.585 . . . . 0.0 111.683 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -79.47 -9.56 59.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.908 0.385 . . . . 0.0 110.828 -179.543 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 64.7 tttm -70.64 -45.43 65.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.38 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 88.7 mt -57.7 -47.55 85.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.382 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 51' ' ' SER . 96.7 m-20 -126.37 -94.63 0.46 Allowed 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 2.0 m 159.46 -79.96 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.648 0.592 . . . . 0.0 110.527 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.5 pttt -136.49 94.1 2.96 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.344 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.1 m -101.97 131.84 22.27 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.933 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -41.4 -31.68 1.11 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.564 2.176 . . . . 0.0 112.273 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -84.07 -60.06 2.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.978 0.418 . . . . 0.0 110.449 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' PHE . 60.0 m -58.8 -23.03 59.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.609 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -40.52 -41.74 1.5 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.542 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -65.11 -40.8 95.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.337 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' CYS . 32.3 t80 -63.75 -46.76 83.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.452 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.517 ' O ' ' SD ' ' A' ' 64' ' ' MET . 95.5 mt -63.84 -43.67 95.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.981 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 t -59.22 -48.57 81.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.774 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -66.29 -42.82 87.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.54 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.3 tp -61.66 -43.88 98.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.337 0.589 . . . . 0.0 110.88 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -62.88 -38.25 90.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.312 179.227 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.19 -34.79 78.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.173 0.511 . . . . 0.0 110.404 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.424 ' NE2' HD11 ' A' ' 7' ' ' LEU . 58.6 mt-30 -64.98 -43.07 93.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.7 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.84 -49.55 75.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.587 0.708 . . . . 0.0 111.336 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -65.12 -30.06 70.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.063 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.12 97.12 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.029 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.37 -38.96 92.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.332 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -57.33 -50.88 71.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.404 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -66.3 -40.9 90.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.818 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -50.94 -50.05 58.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.586 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.458 HD13 HD22 ' A' ' 77' ' ' ASN . 15.6 mt -76.48 -46.38 27.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.26 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.13 -90.55 1.21 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -100.49 92.43 5.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.774 0.321 . . . . 0.0 110.722 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 78' ' ' GLU . 54.1 t-20 -128.42 133.95 48.68 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.606 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -63.21 -43.11 99.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.508 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.47 96.32 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.872 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.7 mm -73.25 -44.1 55.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.202 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 35.4 p -74.23 -25.57 59.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.952 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -126.26 113.0 16.38 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.396 0.617 . . . . 0.0 110.458 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.662 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 1.4 pm0 -69.3 -35.2 75.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.334 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.402 HG12 ' H ' ' A' ' 84' ' ' ILE . 5.0 pt -60.23 -40.73 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.284 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.61 -46.26 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.957 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.83 -36.21 92.43 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.299 -1.121 . . . . 0.0 110.299 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.09 -45.17 93.81 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.412 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.7 -36.52 83.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -65.75 -46.94 76.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.466 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.58 -44.07 97.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.516 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -44.58 87.2 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.518 -179.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.576 HD22 ' C ' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -64.33 -40.83 96.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.288 -179.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.497 ' O ' ' SD ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -57.33 -47.67 80.95 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.938 -178.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.03 -37.43 84.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.198 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.13 -43.91 87.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.803 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.3 -44.35 95.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.454 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' A' ' 93' ' ' TYR . 2.8 mpp? -66.26 -42.27 88.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -61.93 -49.31 76.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.498 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.12 -41.08 99.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -53.36 -54.16 40.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.496 -178.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.71 -49.87 69.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.981 0.42 . . . . 0.0 110.771 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -56.04 -41.42 75.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.209 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -63.54 -43.37 97.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.621 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -65.8 -34.21 77.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.053 0.454 . . . . 0.0 110.185 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.78 -41.27 78.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.167 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -66.25 -26.04 67.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.477 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.44 -25.48 67.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.432 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.88 -12.83 57.74 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 109' ' ' ARG . 10.0 ptp180 -98.83 136.28 39.08 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -113.06 140.53 47.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.035 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -141.79 162.55 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.539 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -30.33 70.84 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.188 0.518 . . . . 0.0 110.525 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.595 ' OD1' ' N ' ' A' ' 114' ' ' MET . 38.4 p30 -57.95 -24.67 59.0 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.086 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.595 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 3.3 tpp -65.7 -45.79 81.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.717 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.44 -43.3 98.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -38.98 92.2 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.748 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.1 m -61.92 -46.94 87.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.738 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -61.53 -43.77 98.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -55.87 -41.75 74.88 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.898 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.7 m -62.11 -43.18 99.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.398 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.426 ' O ' HD13 ' A' ' 125' ' ' ILE . . . -55.48 -53.96 49.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.704 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.9 m -58.6 -38.23 77.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.097 0.475 . . . . 0.0 110.616 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.548 ' O ' ' OD2' ' A' ' 126' ' ' ASP . 4.3 tp -61.1 -43.74 98.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.764 0.792 . . . . 0.0 110.183 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.06 -39.18 93.96 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 121.563 0.696 . . . . 0.0 110.467 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 121' ' ' ALA . 1.4 mp -55.39 -47.66 77.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.216 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.572 ' O ' ' OG1' ' A' ' 129' ' ' THR . 0.9 OUTLIER -59.29 -39.69 83.77 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-O 122.474 1.13 . . . . 0.0 109.962 -178.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.62 ' O ' HG22 ' A' ' 130' ' ' VAL . 97.5 t -59.12 -28.26 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.75 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 90.4 mt -82.26 -35.33 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.358 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.572 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 48.7 p -55.95 -27.1 50.92 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.198 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 127' ' ' VAL . 7.7 m -52.41 -33.52 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.373 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -69.01 -35.86 77.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.47 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 101.48 -6.9 55.72 Favored Glycine 0 N--CA 1.464 0.527 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.504 ' O ' HD22 ' A' ' 134' ' ' LEU . 1.0 OUTLIER -103.79 109.16 20.78 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.693 0.282 . . . . 0.0 110.465 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.504 HD22 ' O ' ' A' ' 133' ' ' GLU . 0.6 OUTLIER -127.81 131.45 49.56 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.29 179.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 139' ' ' VAL . 0.0 OUTLIER -96.79 170.67 9.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.344 179.11 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.415 ' N ' ' OG1' ' A' ' 135' ' ' THR . 98.2 m-20 -64.78 -38.21 90.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.804 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 137' ' ' GLU . 0.4 OUTLIER -57.29 -52.66 64.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.967 -178.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -62.05 -39.89 93.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.718 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 135' ' ' THR . 58.8 t -60.09 -45.21 95.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.186 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -63.35 -40.61 97.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -58.35 -48.3 81.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.789 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -63.49 -48.68 76.6 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.95 -44.03 97.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.789 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -66.28 -43.15 87.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.323 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.14 -46.22 88.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -61.24 -48.94 79.17 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.229 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 53.8 m0 -65.38 -49.17 70.33 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.741 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -63.04 -47.49 82.78 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 123.464 0.478 . . . . 0.0 111.257 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -53.43 -57.2 11.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.85 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 85.9 m -63.29 -42.09 99.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.448 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.406 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 85.8 t80 -57.97 -47.64 82.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.705 -178.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.34 -44.36 99.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.657 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -57.94 -47.39 83.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.61 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.457 ' N ' HD22 ' A' ' 154' ' ' ASN . 2.8 m120 -65.21 -38.86 91.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.588 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 90.8 m -62.15 -49.22 76.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.037 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.74 -40.79 98.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.585 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -63.13 -31.82 73.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.706 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 154' ' ' ASN . 2.4 m120 -88.54 2.92 52.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.395 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 77.75 -0.9 69.52 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -91.22 148.82 22.08 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.8 0.333 . . . . 0.0 110.507 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 47.0 p -93.48 143.98 27.51 Favored Pre-proline 0 N--CA 1.448 -0.532 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.459 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.02 162.47 38.95 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.863 2.376 . . . . 0.0 112.263 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.35 179.278 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 CA--C 1.518 -0.261 0 CA-C-O 120.877 0.37 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.408 ' O ' ' NE2' ' A' ' 66' ' ' GLN . . . -60.11 149.57 74.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.593 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.02 151.35 82.14 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 122.706 2.271 . . . . 0.0 111.935 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.658 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.1 mp -96.42 150.59 37.27 Favored Pre-proline 0 N--CA 1.454 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.877 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -49.25 165.38 0.23 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.497 2.131 . . . . 0.0 111.39 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.17 134.81 62.19 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.856 2.371 . . . . 0.0 111.771 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tp -76.61 116.6 58.05 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.828 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.49 154.24 40.07 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.443 2.096 . . . . 0.0 112.157 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.21 -26.11 64.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -66.11 -32.39 73.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.897 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.402 ' C ' ' N ' ' A' ' 16' ' ' SER . 3.2 m-85 -93.11 -7.93 44.13 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.554 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -44.93 -23.85 0.17 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.784 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 14' ' ' PHE . 65.8 p -61.04 -34.81 75.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.512 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' O ' HD21 ' A' ' 21' ' ' LEU . 24.2 pt -105.11 22.51 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.922 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -62.15 -37.3 84.65 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.635 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -68.1 -37.72 81.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.553 ' CD2' HD11 ' A' ' 123' ' ' LEU . 25.8 m80 -55.93 -61.86 2.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.271 0.558 . . . . 0.0 111.264 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.427 ' CD2' ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -58.54 -48.65 80.16 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.262 -179.623 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -54.4 -47.81 72.31 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.274 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 18.5 m -64.01 -45.73 87.64 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.744 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.01 -30.52 71.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -62.18 -47.38 84.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' OE2' ' N ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -81.45 -16.43 52.02 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.763 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.524 ' N ' ' OE2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -84.6 -17.96 37.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.678 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -59.96 -40.72 90.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.754 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -84.5 -8.67 58.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.18 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -99.39 -46.89 5.35 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -158.46 100.71 1.7 Allowed Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.486 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -51.82 -33.19 49.72 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.721 2.281 . . . . 0.0 112.071 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.22 -45.34 98.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.488 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.1 t -62.58 -44.96 99.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.222 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.13 97.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -55.07 -53.45 55.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.968 0.414 . . . . 0.0 110.583 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -68.59 -42.64 77.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.12 0.486 . . . . 0.0 110.93 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.5 t -55.24 -44.32 75.38 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.24 0.543 . . . . 0.0 110.339 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -43.68 98.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.873 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.4 tp -50.8 -46.07 59.57 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.016 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -60.54 -47.25 86.99 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 119.49 -0.884 . . . . 0.0 110.193 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.49 -36.21 63.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.539 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.509 ' O ' ' SD ' ' A' ' 47' ' ' MET . 50.6 mtt -62.63 -63.55 1.19 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.599 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -43.21 -54.52 4.46 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.885 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.3 m -68.49 -42.54 78.5 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.84 0.352 . . . . 0.0 111.423 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -58.48 -54.07 40.73 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 121.226 -0.512 . . . . 0.0 111.966 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.1 OUTLIER -66.58 -29.08 69.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.722 -0.281 . . . . 0.0 110.467 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -58.44 -45.08 89.24 Favored 'General case' 0 C--O 1.231 0.095 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.188 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.9 mt -65.96 -44.33 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.578 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -143.25 110.72 5.81 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.8 m -56.53 -63.72 1.1 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.687 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -156.94 99.64 1.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.592 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.605 HG22 ' H ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER -106.79 157.8 34.32 Favored Pre-proline 0 N--CA 1.465 0.283 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -36.82 -45.31 1.21 Allowed 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.669 2.246 . . . . 0.0 112.44 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 57' ' ' ARG . 24.4 mp0 -86.9 -65.37 1.02 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 111.084 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.605 ' H ' HG22 ' A' ' 53' ' ' THR . 70.8 m -40.8 -22.76 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.795 0.331 . . . . 0.0 110.501 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 55' ' ' GLU . 1.5 tmt_? -51.36 -57.73 8.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.001 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -66.03 -30.54 71.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.631 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -63.59 -48.35 77.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.515 ' O ' ' SD ' ' A' ' 64' ' ' MET . 78.3 mt -65.66 -40.77 92.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.6 m -57.45 -50.69 72.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.933 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -67.86 -39.15 83.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.045 0.45 . . . . 0.0 111.02 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.2 tp -59.97 -46.85 88.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.222 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.594 ' SD ' ' N ' ' A' ' 64' ' ' MET . 0.0 OUTLIER -64.93 -40.32 94.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.915 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -65.17 -36.17 83.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.301 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -59.25 -52.17 66.8 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.571 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -39.52 95.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.214 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.13 -42.13 94.13 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.977 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.37 90.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.953 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.1 mt -61.61 -41.0 96.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.524 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -59.62 -49.7 76.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.381 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -65.6 -38.66 90.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.747 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -52.41 -55.85 18.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.298 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.0 mt -74.68 -44.39 50.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.93 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.43 -101.09 2.65 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -102.07 88.37 3.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.471 0.176 . . . . 0.0 110.788 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.07 139.73 49.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.398 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.416 ' OE2' ' NE2' ' A' ' 82' ' ' GLN . 2.2 tp10 -67.23 -36.56 81.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.195 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.05 1.04 25.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.667 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mm -120.93 -21.21 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.728 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 p -99.61 -28.51 13.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.766 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.416 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 74.5 mt-30 -112.14 118.58 35.76 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.951 0.405 . . . . 0.0 110.398 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.89 -37.69 82.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.061 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.417 HG13 ' H ' ' A' ' 85' ' ' VAL . 1.2 pt -62.5 -44.88 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.877 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.417 ' H ' HG13 ' A' ' 84' ' ' ILE . 59.5 t -63.14 -43.94 99.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.94 -42.59 99.76 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.553 ' SG ' ' CD2' ' A' ' 131' ' ' PHE . 19.7 m -61.54 -37.67 84.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.866 0.365 . . . . 0.0 110.14 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.57 89.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.574 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -61.27 -45.34 94.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.104 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.41 -42.87 98.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.58 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.04 -46.81 78.75 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.445 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -64.05 -40.11 95.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.685 -179.606 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -60.84 -45.82 92.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.793 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.6 85.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.891 0.377 . . . . 0.0 110.177 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.89 -42.35 97.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.01 -46.83 88.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.227 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -66.34 -36.82 83.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.05 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -58.86 -48.46 81.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.052 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.7 mt -68.68 -37.13 79.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.308 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -55.95 -50.76 69.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.047 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.415 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -63.31 -45.47 91.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.357 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -61.0 -40.37 93.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.449 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -61.03 -40.41 93.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.259 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -61.64 -40.39 94.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.467 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.477 ' OD1' ' CE ' ' A' ' 114' ' ' MET . 1.9 m-20 -62.86 -43.59 98.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -62.54 -40.56 97.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.19 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.83 -19.81 66.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.16 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.84 30.86 25.25 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.448 HH11 ' HG2' ' A' ' 109' ' ' ARG . 29.9 mtt-85 -122.8 132.03 54.03 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -127.11 133.83 50.33 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.258 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -150.84 172.64 15.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.616 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -61.0 -37.41 82.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.649 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.51 -35.58 65.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.212 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.477 ' CE ' ' OD1' ' A' ' 105' ' ' ASP . 1.6 ttp -61.97 -40.61 96.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.123 0.487 . . . . 0.0 110.498 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 11.2 mm -66.05 -43.71 92.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.416 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -66.63 -37.48 84.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.371 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.1 t -57.87 -44.73 86.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.942 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.474 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 11.5 m-85 -63.42 -45.28 91.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.41 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -62.51 -42.57 99.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.274 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.4 m -61.29 -45.55 94.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.647 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.29 78.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.5 t -62.75 -41.53 99.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.522 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.553 HD11 ' CD2' ' A' ' 20' ' ' HIS . 48.5 tp -60.88 -44.67 96.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.349 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.78 -43.15 99.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.944 0.878 . . . . 0.0 110.331 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 67.7 mt -55.84 -41.87 68.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.57 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -59.52 -43.44 93.42 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.674 0.75 . . . . 0.0 110.015 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.691 ' O ' HG22 ' A' ' 130' ' ' VAL . 91.9 t -54.64 -28.73 19.8 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.255 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 55.0 mt -78.16 -33.46 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 121.219 0.533 . . . . 0.0 110.4 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.502 ' HA ' HD23 ' A' ' 134' ' ' LEU . 72.4 p -62.84 -26.13 68.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.679 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 127' ' ' VAL . 6.2 m -51.7 -39.89 25.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.553 ' CD2' ' SG ' ' A' ' 87' ' ' CYS . 97.2 m-85 -64.01 -39.98 95.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.852 0.358 . . . . 0.0 110.639 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.86 -21.16 18.95 Favored Glycine 0 N--CA 1.465 0.58 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -89.8 113.21 24.73 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.507 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -135.99 124.45 23.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.967 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.675 ' CG2' HD22 ' A' ' 138' ' ' ASN . 1.3 t -82.9 159.21 22.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.357 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -62.08 -35.86 79.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.669 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -53.29 -54.0 42.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.122 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.675 HD22 ' CG2' ' A' ' 135' ' ' THR . 52.3 m-80 -61.78 -41.16 97.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.737 0.304 . . . . 0.0 110.837 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.406 ' CG1' ' NZ ' ' A' ' 143' ' ' LYS . 92.9 t -60.63 -46.6 95.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.762 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -62.63 -44.28 96.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.813 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -67.96 -31.72 71.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.407 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -62.84 -49.3 75.45 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.906 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.406 ' NZ ' ' CG1' ' A' ' 139' ' ' VAL . 64.4 mttp -63.52 -40.9 98.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.484 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.19 -46.5 88.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.18 90.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.686 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -60.87 -48.61 81.01 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.409 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -70.54 -41.28 72.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.079 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -59.48 -40.86 88.33 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.608 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.474 ' HB2' ' HB3' ' A' ' 118' ' ' PHE . . . -69.51 -48.24 61.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.043 0.449 . . . . 0.0 110.8 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 7.4 m -64.76 -42.07 95.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.808 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -58.53 -49.77 76.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.668 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 93.6 mt -66.16 -44.2 91.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.826 0.346 . . . . 0.0 110.789 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -57.09 -48.25 79.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.702 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.05 -43.03 93.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.87 0.367 . . . . 0.0 110.799 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 160' ' ' GLU . 0.0 OUTLIER -56.23 -48.41 76.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.943 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 44.3 mt -64.11 -35.8 81.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.368 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -61.77 -32.23 72.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.624 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -92.64 9.45 34.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 61.02 39.37 96.98 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.463 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 56.6 mm-40 -114.25 152.73 30.85 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.774 0.321 . . . . 0.0 110.458 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 27.8 m -84.25 123.27 75.33 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.38 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.21 160.35 42.54 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.583 2.188 . . . . 0.0 112.166 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.48 179.742 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.7 mt . . . . . 0 N--CA 1.463 0.196 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.32 154.51 88.1 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.56 144.91 86.27 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.97 2.447 . . . . 0.0 111.43 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.681 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.4 mm? -91.34 146.27 33.07 Favored Pre-proline 0 C--N 1.328 -0.354 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.201 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -55.07 172.5 0.37 Allowed 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.198 1.932 . . . . 0.0 112.358 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.09 137.46 53.91 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.37 2.047 . . . . 0.0 111.208 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.78 115.97 61.47 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.981 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.22 163.23 25.25 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.347 2.032 . . . . 0.0 112.152 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.5 -26.5 67.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.201 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -57.34 -38.07 73.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.714 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -105.91 42.19 1.29 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.007 0.432 . . . . 0.0 111.031 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -78.73 -28.97 45.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.345 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.5 m -69.55 -41.94 75.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.351 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.4 pt -90.21 10.79 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.619 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -58.76 -49.29 78.18 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.456 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -67.55 -33.63 75.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.958 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.48 ' CD2' ' CD1' ' A' ' 41' ' ' TYR . 45.6 m80 -59.3 -64.14 1.05 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.662 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.86 -39.01 90.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.665 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -58.83 -44.64 90.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.154 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.6 m -60.71 -43.19 98.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.296 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.17 89.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.565 ' CD ' HH22 ' A' ' 39' ' ' ARG . 8.0 mm100 -53.62 -41.65 66.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.975 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -71.26 -46.86 60.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.776 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' ASP . 33.5 m80 -65.27 -17.62 64.65 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.836 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -60.19 -38.56 83.63 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.351 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -74.35 -43.77 55.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -78.05 -52.09 9.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.251 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 27' ' ' HIS . 1.1 m-20 -135.17 110.38 10.73 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.309 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.54 -33.21 8.86 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.928 1.752 . . . . 0.0 112.016 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.87 -45.5 96.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.444 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.09 -43.91 97.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.515 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.77 75.33 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.579 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -52.72 -50.91 62.47 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.829 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -65.65 -43.75 88.47 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.073 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 98.4 m -59.94 -39.91 87.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.703 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.565 HH22 ' CD ' ' A' ' 25' ' ' GLN . 91.6 mtt-85 -64.15 -38.68 91.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.396 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.85 -43.75 90.85 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.48 ' CD1' ' CD2' ' A' ' 20' ' ' HIS . 41.2 t80 -60.77 -45.46 94.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.88 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.702 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.509 ' O ' ' SD ' ' A' ' 47' ' ' MET . 47.3 mtt -60.62 -62.03 2.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.522 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -44.58 -49.15 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.529 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -66.54 -34.92 78.99 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.117 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.78 -60.77 6.54 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.783 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -60.71 -35.61 76.74 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.775 0.322 . . . . 0.0 110.274 -179.682 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -59.65 -47.05 87.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.377 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.8 mt -70.03 -57.35 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.888 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -120.46 121.59 38.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.075 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.8 m -58.52 -94.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.296 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -142.63 106.62 4.71 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.126 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 57' ' ' ARG . 7.0 m -97.85 129.75 30.5 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -39.8 -31.02 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.032 1.821 . . . . 0.0 112.616 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -84.52 -41.99 15.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 59' ' ' PHE . 74.7 m -79.53 -21.56 45.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 53' ' ' THR . 15.9 ttp180 -41.62 -46.3 3.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.049 0.452 . . . . 0.0 110.541 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.3 -39.35 92.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.179 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' CYS . 27.8 t80 -61.23 -49.07 78.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.793 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.88 -41.99 99.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.603 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.0 m -60.77 -48.15 83.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.51 -35.58 81.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.988 0.423 . . . . 0.0 110.647 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.81 -47.98 81.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.58 0.705 . . . . 0.0 110.954 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.518 ' SD ' ' N ' ' A' ' 64' ' ' MET . 0.0 OUTLIER -64.37 -32.26 73.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.664 178.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.28 -39.96 92.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.432 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.607 ' NE2' HD21 ' A' ' 7' ' ' LEU . 72.6 mt-30 -65.36 -36.67 84.7 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.244 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 tt -57.96 -51.92 67.65 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.982 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.42 -33.41 75.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.266 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.74 78.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.422 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.14 -41.44 97.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.626 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -59.03 -46.24 88.7 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.588 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.81 -38.61 86.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.321 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -52.56 -56.02 18.14 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.523 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.8 mt -77.36 -41.88 38.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.977 0.418 . . . . 0.0 110.695 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.69 -103.16 1.14 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -83.5 83.89 7.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.84 0.352 . . . . 0.0 110.608 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.97 132.84 56.1 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.805 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.07 -41.65 97.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.113 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.92 -40.12 91.15 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.036 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.6 mm -69.69 -43.94 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 0.0 110.566 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.8 p -73.1 -47.72 41.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.062 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -98.42 121.95 41.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.386 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.491 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 5.4 pm0 -69.94 -36.86 75.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.943 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.469 ' CG1' ' N ' ' A' ' 85' ' ' VAL . 6.2 pt -60.06 -44.82 95.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.273 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.469 ' N ' ' CG1' ' A' ' 84' ' ' ILE . 77.6 t -63.15 -46.38 96.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.014 0.435 . . . . 0.0 109.907 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.41 -40.66 97.96 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 83' ' ' GLU . 100.0 m -63.12 -40.28 97.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.284 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.01 96.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.398 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -60.14 -47.52 85.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.888 0.375 . . . . 0.0 110.6 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.462 ' HB3' HD12 ' A' ' 124' ' ' LEU . 9.8 mp -63.41 -42.24 98.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.362 0.601 . . . . 0.0 110.511 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -63.69 -39.77 95.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.677 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.14 -39.12 85.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.137 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -45.3 94.78 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.322 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.47 -44.83 72.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.387 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.36 -38.56 91.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.762 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -55.33 -50.02 70.7 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.401 -0.52 . . . . 0.0 109.855 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -69.62 -41.22 75.95 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.855 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.526 ' CD2' ' NE2' ' A' ' 141' ' ' HIS . 33.0 t80 -61.17 -48.25 82.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.574 -178.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.1 mt -65.21 -41.84 94.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.58 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -61.14 -46.32 91.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.474 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.449 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -65.2 -50.42 65.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.262 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -58.02 -41.11 82.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.586 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -61.59 -41.15 97.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.386 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.33 -37.79 86.18 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.392 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.97 -43.46 95.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.71 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -63.79 -36.07 82.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.399 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.62 -15.43 61.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.267 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.76 19.58 63.25 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.45 ' CD ' ' NE2' ' A' ' 111' ' ' HIS . 39.0 ttm-85 -116.23 125.19 51.89 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.421 ' O ' ' ND1' ' A' ' 111' ' ' HIS . 17.1 m-85 -108.53 134.89 50.69 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.45 ' NE2' ' CD ' ' A' ' 109' ' ' ARG . 41.0 m-70 -146.74 151.07 36.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.462 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -55.45 -28.95 57.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.522 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -56.95 -33.1 66.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.152 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 89.3 mtp -63.72 -41.64 98.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.535 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.8 mm -62.44 -44.84 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.588 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -63.14 -39.72 95.48 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.4 p -58.87 -45.94 88.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.449 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 47.8 m-85 -63.8 -42.79 97.62 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -57.27 -45.49 83.99 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.247 0.546 . . . . 0.0 109.765 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 15.4 m -63.2 -42.0 99.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.375 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.49 -48.33 77.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.581 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.7 p -58.28 -39.24 78.75 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.213 0.53 . . . . 0.0 110.689 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.35 -41.48 98.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.134 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -57.97 -42.63 85.42 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.882 -179.404 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.541 ' O ' HG23 ' A' ' 129' ' ' THR . 45.5 mm -58.4 -47.58 87.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.113 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.476 ' O ' ' OG1' ' A' ' 129' ' ' THR . 1.1 m-20 -52.5 -47.83 66.35 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-O 121.434 0.635 . . . . 0.0 110.813 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.615 ' O ' HG22 ' A' ' 130' ' ' VAL . 29.7 t -60.5 -29.14 43.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.083 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.4 mt -81.67 -29.54 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.952 0.406 . . . . 0.0 110.466 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 125' ' ' ILE . 65.1 p -65.04 -27.57 68.89 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.645 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 127' ' ' VAL . 8.5 m -51.4 -34.42 15.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 119.704 -0.798 . . . . 0.0 110.496 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.468 ' CZ ' ' SG ' ' A' ' 87' ' ' CYS . 94.2 m-85 -68.36 -36.03 78.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.941 0.401 . . . . 0.0 110.863 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 98.49 -11.98 63.17 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -83.34 93.07 7.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.46 132.32 54.29 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.417 ' O ' HG23 ' A' ' 139' ' ' VAL . 3.7 p -103.53 171.31 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.193 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -62.21 -42.91 99.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.015 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.31 -45.89 91.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.798 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -63.85 -39.9 95.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.619 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 135' ' ' THR . 40.6 t -61.13 -46.04 97.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.203 0.525 . . . . 0.0 109.71 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -68.87 -26.13 64.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.297 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.526 ' NE2' ' CD2' ' A' ' 98' ' ' PHE . 36.0 t-80 -61.68 -49.42 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.473 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 143' ' ' LYS . 13.4 ptm180 -68.48 -41.18 80.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.504 ' NZ ' ' CE3' ' A' ' 147' ' ' TRP . 0.0 OUTLIER -64.39 -50.06 69.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.442 -178.792 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -60.11 -48.27 82.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.25 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.57 -41.76 90.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.319 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -56.14 -57.3 12.76 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.273 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . 0.504 ' CE3' ' NZ ' ' A' ' 143' ' ' LYS . 45.2 m0 -62.72 -51.42 67.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.351 -178.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -57.41 -44.07 84.25 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.423 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -53.77 -53.14 56.5 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.654 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 36.8 m -69.26 -32.17 71.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.207 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -58.91 -53.08 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.929 -178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.86 -42.64 86.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -56.63 -48.35 77.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.069 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -65.67 -42.34 91.43 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.178 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 156' ' ' LEU . 1.6 p -56.41 -46.48 80.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 111.011 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.604 ' N ' ' SG ' ' A' ' 155' ' ' CYS . 12.9 mt -64.65 -41.23 96.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.779 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -59.9 -38.34 82.02 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -78.63 -17.71 55.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.698 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 84.28 32.12 23.59 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -117.87 148.49 42.08 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.716 0.294 . . . . 0.0 110.71 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 78.7 m -78.85 123.1 85.31 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.72 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.49 160.58 44.16 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.01 1.807 . . . . 0.0 112.492 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.194 179.584 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 CA--C 1.516 -0.344 0 CA-C-O 120.809 0.338 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.26 162.43 73.78 Favored Pre-proline 0 C--N 1.326 -0.43 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.862 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.63 147.28 81.51 Favored 'Trans proline' 0 N--CA 1.498 1.737 0 C-N-CA 122.986 2.457 . . . . 0.0 112.087 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.843 HD22 ' N ' ' A' ' 7' ' ' LEU . 1.4 mm? -101.63 151.18 37.82 Favored Pre-proline 0 C--O 1.235 0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.054 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.28 162.95 0.71 Allowed 'Trans proline' 0 C--N 1.316 -1.15 0 C-N-CA 122.248 1.965 . . . . 0.0 111.569 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.07 126.59 19.27 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 123.035 2.49 . . . . 0.0 111.655 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 tp -63.4 112.94 8.05 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.384 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -62.97 150.93 87.12 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 122.672 2.248 . . . . 0.0 111.985 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.84 -25.33 64.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -63.21 -37.93 89.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.492 ' HB3' HD11 ' A' ' 17' ' ' ILE . 39.4 m-85 -101.68 25.77 8.14 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.878 0.371 . . . . 0.0 110.669 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -65.6 -40.31 92.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.681 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -55.81 -35.81 66.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.595 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.492 HD11 ' HB3' ' A' ' 14' ' ' PHE . 46.0 pt -94.97 21.38 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.171 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -63.94 -43.34 96.15 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.344 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -66.46 -36.68 83.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.715 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -56.47 -65.3 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.038 0.446 . . . . 0.0 111.136 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -35.15 73.11 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.532 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -60.3 -45.47 93.24 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.768 0.794 . . . . 0.0 110.076 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.647 HG22 ' ND1' ' A' ' 27' ' ' HIS . 11.6 m -62.18 -42.9 99.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.786 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -58.9 -40.91 85.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.323 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.819 HE21 HH22 ' A' ' 39' ' ' ARG . 72.9 mm-40 -56.44 -44.3 80.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.996 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -77.74 -35.53 51.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.417 0.627 . . . . 0.0 110.618 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.647 ' ND1' HG22 ' A' ' 23' ' ' THR . 2.4 m80 -75.54 -16.96 60.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.723 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ALA . 10.2 m-20 -59.31 -36.13 75.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.951 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -95.84 -34.58 11.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.774 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -76.03 -44.79 37.6 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.979 0.418 . . . . 0.0 110.968 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -147.77 93.08 4.6 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.345 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.59 -43.24 59.4 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 122.735 2.29 . . . . 0.0 112.547 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.1 -46.04 97.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.481 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 73.5 t -59.44 -45.13 93.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.171 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.23 93.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.703 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -52.02 -57.24 10.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.935 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -62.72 -42.05 99.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 96.6 m -58.91 -40.9 85.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.033 0.444 . . . . 0.0 110.319 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.819 HH22 HE21 ' A' ' 25' ' ' GLN . 26.2 mmt180 -63.24 -41.0 99.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.44 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.2 tp -57.53 -42.88 83.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.181 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.3 -45.93 89.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.225 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.3 87.27 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.621 0.576 . . . . 0.0 110.874 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.2 mtt -60.34 -49.15 78.73 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.448 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -55.74 -58.46 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.5 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.8 t -61.49 -33.0 73.04 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.706 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.57 -63.78 4.69 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 22.3 ptp -60.52 -25.87 66.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 110.426 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -64.42 -49.57 71.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.448 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.39 -45.71 95.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.719 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.446 ' CG ' ' H ' ' A' ' 51' ' ' SER . 47.2 t0 -121.7 -122.76 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.258 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.446 ' H ' ' CG ' ' A' ' 50' ' ' ASP . 39.7 t -176.78 -101.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.513 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -136.14 98.03 3.76 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.7 m -98.19 131.86 25.57 Favored Pre-proline 0 CA--C 1.537 0.444 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.078 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -40.27 -32.06 0.65 Allowed 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 122.286 1.991 . . . . 0.0 112.36 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -86.27 -61.15 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.98 0.419 . . . . 0.0 110.429 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' PHE . 35.9 m -59.9 -27.14 66.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.641 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -41.68 -41.35 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.485 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -63.49 -42.82 98.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.273 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 56' ' ' CYS . 68.8 t80 -62.37 -48.68 78.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.401 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.475 ' O ' ' SD ' ' A' ' 64' ' ' MET . 27.7 mt -63.94 -40.85 97.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.5 m -59.92 -51.23 70.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.043 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.16 -37.91 89.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.37 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.628 ' CD1' HH11 ' A' ' 39' ' ' ARG . 29.4 tp -59.76 -48.34 82.07 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-O 121.636 0.731 . . . . 0.0 110.972 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.57 ' SD ' ' N ' ' A' ' 64' ' ' MET . 0.0 OUTLIER -61.8 -37.87 86.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.085 -179.666 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -63.92 -38.66 91.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.079 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.708 HE22 HD21 ' A' ' 7' ' ' LEU . 45.3 mt-30 -58.54 -47.22 84.92 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.186 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.19 -43.2 99.26 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.719 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -63.79 -34.18 77.33 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.21 90.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.512 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.98 -40.48 95.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.587 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -61.08 -47.73 84.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.169 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -67.64 -42.82 81.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.693 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -58.63 5.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.866 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.577 ' CB ' HD21 ' A' ' 77' ' ' ASN . 28.4 mt -73.17 -42.02 63.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.689 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.16 -99.4 2.34 Favored Glycine 0 N--CA 1.46 0.255 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -130.34 87.25 2.48 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.966 0.413 . . . . 0.0 110.817 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.577 HD21 ' CB ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -97.26 156.72 16.3 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.786 -179.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.522 ' OE2' ' NE2' ' A' ' 82' ' ' GLN . 5.6 tp10 -53.0 -37.22 61.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.834 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.93 -37.75 61.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.891 0.377 . . . . 0.0 111.312 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 80' ' ' ILE . 44.1 mm -85.05 -5.42 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.76 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 77' ' ' ASN . 64.3 p -116.97 -8.31 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.961 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.522 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 43.1 mt-30 -139.05 117.09 11.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.047 0.451 . . . . 0.0 110.077 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -67.06 -34.92 78.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.925 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.413 HG13 ' H ' ' A' ' 85' ' ' VAL . 1.0 OUTLIER -60.31 -40.74 84.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.465 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.413 ' H ' HG13 ' A' ' 84' ' ' ILE . 72.3 t -68.08 -44.88 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.815 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.92 -44.3 92.55 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 88' ' ' ALA . 4.5 p -65.09 -41.16 95.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.95 0.405 . . . . 0.0 110.56 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.537 ' N ' ' SG ' ' A' ' 87' ' ' CYS . . . -63.58 -36.84 85.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.743 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.419 ' NE2' ' CZ ' ' A' ' 93' ' ' TYR . 33.6 t60 -63.33 -49.27 74.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.97 -42.71 97.18 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.775 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -56.19 -45.2 79.87 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.295 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.455 HD22 ' C ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -64.31 -40.64 96.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.419 ' CZ ' ' NE2' ' A' ' 89' ' ' HIS . 2.6 m-85 -59.7 -46.04 90.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.712 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.96 -46.22 85.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.966 0.412 . . . . 0.0 110.218 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.11 -41.38 98.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.026 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -59.94 -47.33 86.24 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.428 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 49.2 mtm -68.67 -39.83 80.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.705 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -59.54 -46.85 87.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.55 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.62 -39.95 95.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.262 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -55.32 -44.42 75.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.926 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.41 84.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.554 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.33 -38.59 84.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.434 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.46 HD22 ' N ' ' A' ' 103' ' ' ASN . 2.5 m120 -62.12 -41.3 98.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.244 0.545 . . . . 0.0 110.232 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -70.83 -23.82 62.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.946 0.403 . . . . 0.0 110.175 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -74.13 -52.71 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.337 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -67.04 -23.44 65.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.503 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.29 -14.14 61.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.591 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 86.12 -21.69 15.31 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -82.96 142.41 31.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 0.0 110.316 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -126.4 138.72 53.57 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.278 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -145.86 156.58 43.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.405 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -59.66 -18.32 41.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.418 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -62.34 -37.22 84.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.406 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 55.4 mtp -58.33 -42.96 87.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.981 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 33.7 mm -62.45 -48.64 87.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.071 0.462 . . . . 0.0 110.345 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -65.64 -35.97 82.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.233 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.2 m -60.15 -45.89 91.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.761 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -63.59 -41.4 98.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.48 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -59.39 -44.26 92.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.954 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.3 m -60.31 -43.7 96.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.237 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.425 ' O ' HD13 ' A' ' 125' ' ' ILE . . . -54.26 -49.44 69.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.263 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.3 t -60.31 -40.47 90.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.425 0.631 . . . . 0.0 110.417 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 tp -58.95 -43.83 91.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.127 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 124' ' ' LEU . 2.8 tp -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.959 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.744 ' O ' HG23 ' A' ' 129' ' ' THR . 1.4 mp -52.47 -43.89 42.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.552 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.421 ' O ' ' OG1' ' A' ' 129' ' ' THR . 98.5 m-20 -59.4 -48.64 80.85 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-O 121.762 0.791 . . . . 0.0 109.979 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.711 ' O ' HG22 ' A' ' 130' ' ' VAL . 40.8 t -60.85 -24.16 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.136 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 95.5 mt -84.28 -31.76 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.52 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 1.057 HG22 HD21 ' A' ' 134' ' ' LEU . 71.1 p -64.72 -32.39 74.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 -178.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 127' ' ' VAL . 11.9 m -54.54 -29.23 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.596 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -62.6 -41.14 98.79 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.806 0.336 . . . . 0.0 110.351 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.74 0.99 25.87 Favored Glycine 0 N--CA 1.468 0.797 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.455 ' O ' HD22 ' A' ' 134' ' ' LEU . 11.8 pt-20 -114.5 125.89 54.33 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.041 0.448 . . . . 0.0 110.619 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 1.057 HD21 HG22 ' A' ' 129' ' ' THR . 0.5 OUTLIER -126.88 111.42 14.14 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.135 0.493 . . . . 0.0 110.219 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.606 HG23 ' H ' ' A' ' 138' ' ' ASN . 9.2 t -89.04 168.13 12.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.239 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -64.06 -42.3 97.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.737 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 56.2 mp0 -56.02 -43.15 77.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.028 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.606 ' H ' HG23 ' A' ' 135' ' ' THR . 92.7 m-20 -64.57 -45.01 88.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.802 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 89.9 t -65.45 -43.96 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.72 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -61.96 -44.31 97.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.948 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.415 ' O ' ' CB ' ' A' ' 145' ' ' ALA . 45.7 m170 -65.91 -36.29 82.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.156 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 54.0 ttt85 -56.85 -62.04 2.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.824 0.345 . . . . 0.0 110.703 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 144' ' ' TYR . 16.5 pttp -65.31 -43.65 90.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.451 ' N ' ' CG ' ' A' ' 143' ' ' LYS . 70.5 t80 -62.15 -45.25 94.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.379 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 141' ' ' HIS . . . -63.39 -48.67 76.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.422 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -56.73 -47.39 80.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.186 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -66.3 -46.93 75.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.662 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -60.94 -42.91 99.1 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.62 -55.52 32.91 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.718 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 8.9 m -69.1 -41.17 77.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.165 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.495 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 85.3 t80 -58.65 -47.58 83.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 81.2 mt -63.43 -43.48 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.959 -0.297 . . . . 0.0 110.596 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -58.99 -48.49 81.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.866 0.365 . . . . 0.0 110.545 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -66.39 -38.57 87.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.706 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 96.9 m -60.51 -42.87 97.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.68 -40.86 92.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.711 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -58.96 -44.03 91.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.437 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -78.77 -3.16 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.48 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 79.1 8.16 88.01 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -81.59 145.23 30.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 110.713 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.8 m -88.84 118.02 68.87 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.519 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -53.35 148.39 33.27 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.343 2.028 . . . . 0.0 112.394 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.102 179.856 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 N--CA 1.458 -0.058 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.34 158.4 69.25 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.833 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.404 ' C ' HD22 ' A' ' 7' ' ' LEU . 33.0 Cg_exo -60.88 151.24 78.88 Favored 'Trans proline' 0 N--CA 1.504 2.141 0 C-N-CA 122.291 1.994 . . . . 0.0 112.138 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.84 HD22 ' N ' ' A' ' 7' ' ' LEU . 1.3 mm? -105.95 144.3 28.63 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.049 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.5 165.08 32.99 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.369 2.046 . . . . 0.0 112.121 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.15 126.6 8.09 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.076 1.851 . . . . 0.0 111.388 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 tp -61.08 117.13 23.01 Favored Pre-proline 0 CA--C 1.543 0.7 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.947 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -54.9 156.53 15.17 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 121.997 1.798 . . . . 0.0 112.125 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.45 91.01 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.066 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.411 ' HG2' ' H ' ' A' ' 13' ' ' GLN . 3.5 pt20 -71.56 -20.06 62.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.964 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.772 ' CD2' HD11 ' A' ' 17' ' ' ILE . 3.2 m-30 -92.47 8.3 39.3 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.069 0.461 . . . . 0.0 110.433 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -61.53 -37.22 82.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.347 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 m -57.63 -34.14 68.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.879 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.772 HD11 ' CD2' ' A' ' 14' ' ' PHE . 42.2 pt -96.02 18.46 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.048 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -61.97 -45.19 94.72 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.275 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -69.88 -37.66 76.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.883 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.446 ' CD2' ' CD1' ' A' ' 41' ' ' TYR . 56.8 m80 -53.87 -61.7 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 111.342 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.57 -40.12 92.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -59.88 -42.43 93.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.053 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.6 m -62.15 -44.26 97.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.16 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.36 96.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.465 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -57.9 -45.33 86.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.429 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -70.85 -44.76 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.753 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.624 ' CE1' HH21 ' A' ' 30' ' ' ARG . 23.0 m80 -64.22 -34.89 79.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.178 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 41.1 t0 -46.69 -31.29 2.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.395 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -84.39 -19.43 33.55 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.317 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.624 HH21 ' CE1' ' A' ' 27' ' ' HIS . 83.8 mtm180 -103.08 -52.22 3.09 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.775 0.321 . . . . 0.0 110.918 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -139.95 92.32 9.88 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.491 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.88 -36.13 62.4 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 122.664 2.243 . . . . 0.0 112.529 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.08 -45.05 96.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.59 -43.88 98.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.989 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -43.42 95.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.621 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -55.82 -50.24 71.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 110.287 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -63.78 -42.96 97.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.451 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.8 m -61.66 -39.92 93.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.196 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' A' ' 66' ' ' GLN . 85.9 mtt-85 -62.5 -37.17 84.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.315 179.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.4 -47.58 85.45 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.341 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.446 ' CD1' ' CD2' ' A' ' 20' ' ' HIS . 55.4 t80 -61.59 -42.97 99.63 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.84 -50.89 62.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.492 ' HE3' HD13 ' A' ' 67' ' ' LEU . 38.8 mtt -63.01 -45.5 92.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.171 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.437 HE22 ' HB ' ' A' ' 130' ' ' VAL . 1.6 mt-30 -51.69 -51.11 58.53 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.04 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.6 m -71.42 -42.78 67.85 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.709 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.15 -49.29 76.24 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.422 ' SD ' ' HA ' ' A' ' 44' ' ' GLN . 5.2 ptm -67.51 -29.27 68.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 4.5 tptp -59.27 -49.99 75.73 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.007 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.16 -48.41 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.547 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' CG ' ' OG1' ' A' ' 53' ' ' THR . 15.7 t0 -145.5 100.11 3.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.88 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.5 m -47.85 -81.0 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.76 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -115.23 104.76 12.15 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.42 ' OG1' ' CG ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -107.36 133.39 20.38 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -42.28 -42.23 7.55 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.06 1.84 . . . . 0.0 112.765 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -85.16 -53.26 5.37 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.741 0.305 . . . . 0.0 111.418 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.638 ' SG ' ' CZ ' ' A' ' 14' ' ' PHE . 4.4 t -58.61 -21.74 54.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.046 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -49.79 -42.59 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.2 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -62.28 -44.14 97.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.236 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.44 -47.41 84.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.187 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.53 -41.77 98.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.559 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.5 m -55.77 -61.37 2.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.871 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -63.37 -43.81 96.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.057 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.9 tp -56.88 -48.01 79.16 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.668 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.03 -38.62 89.38 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.467 -0.493 . . . . 0.0 109.883 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.38 -37.85 82.08 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.942 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.535 HE22 HD21 ' A' ' 7' ' ' LEU . 70.0 mt-30 -63.74 -37.85 88.9 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.283 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.492 HD13 ' HE3' ' A' ' 43' ' ' MET . 11.2 tp -60.02 -48.62 80.94 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.904 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.7 -32.71 73.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.126 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.33 96.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.023 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.77 -41.92 97.88 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.378 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -61.63 -47.19 86.55 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.229 -0.588 . . . . 0.0 109.64 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -69.26 -40.22 77.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -56.57 -51.81 67.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.4 mt -70.76 -41.35 71.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.53 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.03 -99.54 0.51 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -87.15 85.4 7.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.926 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.83 129.7 53.66 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.753 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -66.73 -39.71 88.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.46 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.03 -39.66 83.06 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.993 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.7 mm -69.45 -45.16 79.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.852 0.358 . . . . 0.0 110.76 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.7 p -69.64 -47.18 64.27 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.067 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -96.09 117.63 31.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.421 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.665 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 3.5 pm0 -69.57 -37.34 76.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.977 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.5 pt -62.33 -42.55 95.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.485 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.9 t -64.05 -46.52 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.97 -38.64 95.72 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.7 t -64.1 -43.31 95.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.332 . . . . 0.0 110.316 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.74 90.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.319 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.567 ' NE2' ' CE1' ' A' ' 93' ' ' TYR . 57.8 t60 -61.87 -44.0 97.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.389 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.73 -42.85 97.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.4 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -58.59 -44.66 89.93 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.14 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.94 -39.21 93.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.744 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.567 ' CE1' ' NE2' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -58.27 -46.25 86.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.335 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.41 93.56 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.654 -0.419 . . . . 0.0 109.871 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.46 -42.73 98.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.395 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -62.44 -45.91 90.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.863 0.364 . . . . 0.0 110.582 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 48.7 mtm -66.94 -39.02 87.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.846 0.355 . . . . 0.0 110.549 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -60.08 -46.47 89.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.61 -40.76 97.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.346 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -58.23 -44.18 88.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.931 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.423 ' HB1' ' CZ ' ' A' ' 118' ' ' PHE . . . -60.97 -48.02 83.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.549 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.47 -40.81 97.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.922 0.392 . . . . 0.0 110.526 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -62.72 -43.4 98.89 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.194 0.521 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 5.2 tm-20 -62.99 -33.97 76.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.897 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -61.2 -44.7 96.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.781 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -64.98 -24.9 67.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.244 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 104' ' ' GLU . . . -63.09 -25.41 68.35 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.445 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.75 -24.08 19.6 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -83.04 139.36 33.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.022 0.439 . . . . 0.0 110.204 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.54 135.27 54.85 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.4 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.444 ' ND1' ' N ' ' A' ' 112' ' ' LYS . 41.6 t-80 -147.53 162.36 39.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.092 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.444 ' N ' ' ND1' ' A' ' 111' ' ' HIS . 64.2 mmtt -56.89 -17.82 10.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -61.92 -36.98 82.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.453 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 38.5 mmm -60.36 -44.84 95.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 40.9 mm -62.37 -44.07 98.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.913 0.387 . . . . 0.0 110.204 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -63.93 -41.82 97.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.552 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.5 p -59.29 -46.36 88.77 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.866 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.423 ' CZ ' ' HB1' ' A' ' 101' ' ' ALA . 43.5 m-85 -64.66 -43.0 95.0 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.836 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -63.9 -42.12 97.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.435 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.4 m -59.79 -43.88 94.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.605 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.69 -48.89 79.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.742 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 93.9 p -58.34 -37.5 75.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.039 0.447 . . . . 0.0 110.913 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 123' ' ' LEU . 71.0 mt -63.84 -43.78 95.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.481 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.88 -36.27 83.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.675 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 129' ' ' THR . 5.0 mm -59.24 -44.73 92.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.67 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.44 -42.89 97.03 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 121.454 0.645 . . . . 0.0 110.027 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.605 ' O ' HG22 ' A' ' 130' ' ' VAL . 73.1 t -57.61 -28.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.055 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 97.6 mt -81.1 -34.39 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.8 0.333 . . . . 0.0 110.542 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.599 HG22 HD11 ' A' ' 134' ' ' LEU . 73.8 p -62.28 -26.02 68.17 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.78 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 127' ' ' VAL . 4.3 m -52.53 -31.89 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.771 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -63.91 -27.42 69.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.619 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.61 -19.12 54.88 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 1.1 mp0 -95.79 122.06 38.17 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.881 0.372 . . . . 0.0 110.35 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.599 HD11 HG22 ' A' ' 129' ' ' THR . 2.7 mt -129.54 138.63 51.44 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.133 0.492 . . . . 0.0 110.771 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.454 HG23 ' H ' ' A' ' 138' ' ' ASN . 0.2 OUTLIER -105.76 149.07 26.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.89 178.275 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -50.61 -30.76 14.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.589 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.414 ' N ' ' OE2' ' A' ' 137' ' ' GLU . 1.4 mp0 -64.45 -50.8 66.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.518 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.454 ' H ' HG23 ' A' ' 135' ' ' THR . 0.9 OUTLIER -61.99 -45.5 93.34 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.198 -179.008 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.82 -45.21 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -62.9 -41.0 99.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.579 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -63.6 -40.31 96.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.188 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -62.19 -53.65 52.24 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.114 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -64.26 -38.58 91.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.945 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -59.85 -48.76 80.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.243 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.91 73.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.5 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -60.0 -50.12 75.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.533 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -66.62 -42.03 87.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.383 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -62.39 -43.44 98.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.007 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.03 -49.87 75.66 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.547 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 21.4 m -71.26 -42.8 68.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.578 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -57.53 -49.54 75.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.617 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.22 -44.0 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.3 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -61.62 -43.74 98.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.694 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -62.56 -41.24 98.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.574 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 160' ' ' GLU . 87.8 m -60.92 -44.68 96.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.897 0.38 . . . . 0.0 110.442 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.41 -38.38 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.45 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -57.03 -40.66 77.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.646 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -90.55 5.91 45.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.547 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 71.55 12.42 73.56 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 155' ' ' CYS . 96.9 mt-10 -87.07 148.35 25.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.607 0.242 . . . . 0.0 110.417 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.3 m -95.9 124.15 53.22 Favored Pre-proline 0 CA--C 1.54 0.574 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.723 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.6 162.04 40.72 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.036 1.824 . . . . 0.0 112.296 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.11 179.474 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.574 ' CD1' ' NH2' ' A' ' 39' ' ' ARG . 46.4 mt . . . . . 0 CA--C 1.529 0.143 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.83 150.92 93.96 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.924 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.26 151.66 76.41 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.528 2.152 . . . . 0.0 111.379 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.455 ' CD1' ' NE2' ' A' ' 66' ' ' GLN . 6.8 mp -106.43 154.7 39.7 Favored Pre-proline 0 N--CA 1.469 0.5 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -67.34 167.93 19.16 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.552 2.168 . . . . 0.0 111.349 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -44.94 133.95 10.79 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.972 1.781 . . . . 0.0 111.797 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.24 118.44 72.48 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.413 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -54.62 153.61 23.15 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 121.793 1.662 . . . . 0.0 112.72 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.13 96.26 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.521 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.416 ' H ' ' HG2' ' A' ' 13' ' ' GLN . 10.6 pt20 -64.37 -17.96 64.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.677 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.424 ' CD2' HD11 ' A' ' 17' ' ' ILE . 3.9 m-30 -97.35 5.57 49.65 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.675 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -58.06 -26.85 63.03 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -66.55 -48.17 70.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.739 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.424 HD11 ' CD2' ' A' ' 14' ' ' PHE . 31.4 pt -85.8 -1.97 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.091 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -53.16 -42.11 65.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.97 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -65.55 -38.57 90.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.236 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -59.86 -61.69 2.43 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -36.11 76.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.516 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -58.88 -45.79 89.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.922 0.391 . . . . 0.0 110.621 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.2 m -63.79 -42.42 97.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.214 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.21 93.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.265 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -58.47 -44.22 89.23 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -70.3 -50.19 41.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' ASP . 13.5 m80 -61.64 -37.14 82.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.316 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -43.89 -39.64 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.675 0.274 . . . . 0.0 110.433 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -66.75 -40.66 88.37 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.675 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.401 ' HG3' HH11 ' A' ' 30' ' ' ARG . 27.7 mtt85 -86.85 -54.05 4.57 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' HIS . 17.8 t0 -127.56 106.02 21.11 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-O 119.723 -0.179 . . . . 0.0 110.999 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.35 -30.65 19.24 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.272 1.315 . . . . 0.0 112.036 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.6 -46.5 94.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.417 HG23 ' CG ' ' A' ' 31' ' ' ASP . 70.3 t -63.03 -45.09 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.408 ' HB1' ' NH1' ' A' ' 39' ' ' ARG . . . -62.29 -38.02 87.77 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.599 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -57.19 -52.77 63.98 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.958 0.408 . . . . 0.0 110.521 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -67.47 -36.66 81.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.06 0.457 . . . . 0.0 110.237 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.3 t -56.94 -44.44 82.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.985 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.574 ' NH2' ' CD1' ' A' ' 4' ' ' LEU . 84.3 mtt85 -63.64 -41.84 98.2 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.403 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.6 tp -50.14 -48.45 53.74 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.247 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -63.25 -44.31 95.55 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.168 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.38 -37.71 78.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.877 0.37 . . . . 0.0 110.427 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.517 ' O ' ' SD ' ' A' ' 47' ' ' MET . 39.0 mtt -61.23 -62.69 1.66 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.19 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -44.15 -44.58 7.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.556 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.3 p -69.4 -35.41 75.74 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.834 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.84 -54.17 29.89 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.153 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -65.86 -37.5 86.34 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.568 0.223 . . . . 0.0 110.784 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -54.56 -47.22 73.52 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.0 mt -72.6 -70.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.523 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.457 ' OD2' ' SG ' ' A' ' 56' ' ' CYS . 28.3 t70 -108.26 113.99 27.52 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.211 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 50' ' ' ASP . 51.1 m -56.05 -108.18 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.533 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -127.46 97.55 4.92 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.535 HG22 ' H ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -106.78 160.26 26.95 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -42.66 -50.45 5.88 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 122.296 1.998 . . . . 0.0 113.517 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.59 -61.93 1.63 Allowed 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.394 0.616 . . . . 0.0 111.066 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.535 ' H ' HG22 ' A' ' 53' ' ' THR . 61.7 m -49.28 -23.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.155 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -50.7 -58.17 6.53 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 121.211 0.529 . . . . 0.0 110.215 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.14 -41.0 91.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.581 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -59.34 -48.39 81.8 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.398 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.62 -41.91 98.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.383 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.4 t -60.67 -45.67 93.24 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.725 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -63.91 -42.5 97.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.414 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.98 -44.13 97.39 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.362 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -40.39 96.17 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.943 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -62.55 -40.93 98.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.614 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.455 ' NE2' ' CD1' ' A' ' 7' ' ' LEU . 55.3 mt-30 -60.25 -44.9 94.86 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.36 -43.93 97.66 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.377 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -36.56 83.59 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.42 -49.69 66.79 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.216 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 70' ' ' LEU . 84.0 mt -63.41 -41.65 98.72 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.901 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -59.62 -47.46 85.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.195 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -69.38 -32.51 71.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.309 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -58.15 -55.94 28.44 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.5 mt -78.02 -42.43 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.77 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.6 -99.8 2.01 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -96.49 89.1 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.693 0.282 . . . . 0.0 110.767 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -126.61 127.38 45.15 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.449 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -50.87 -39.3 53.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.296 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.1 -36.2 74.74 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.728 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.4 mm -89.17 -48.66 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.486 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.2 p -65.14 -43.06 93.12 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.687 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -104.58 115.35 30.19 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.329 0.585 . . . . 0.0 110.712 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.4 ' C ' ' OE1' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -67.98 -37.12 81.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.652 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 pt -56.69 -42.21 76.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.4 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.04 -46.58 93.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 0.0 110.098 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.36 -36.05 92.89 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 49.9 t -65.49 -44.1 88.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.723 0.296 . . . . 0.0 110.772 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.69 95.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.745 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -64.59 -45.6 86.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.64 -44.25 96.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.403 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -63.06 -42.51 99.72 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -63.88 -38.79 92.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.644 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -49.77 76.46 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.682 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.37 -36.72 78.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -62.63 -44.45 96.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.383 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -62.58 -46.84 86.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.904 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 70.6 mtm -66.32 -39.82 89.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.6 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.604 ' CG ' ' NE2' ' A' ' 141' ' ' HIS . 63.3 t80 -59.89 -45.03 93.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.649 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.9 mt -62.77 -40.34 97.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.687 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.24 -46.83 82.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.308 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.38 96.73 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.869 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.35 -43.5 98.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.89 0.376 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -63.5 -40.61 97.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.39 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -60.82 -42.74 98.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.191 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -59.5 -43.0 93.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.057 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -38.76 92.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.349 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.79 -26.11 68.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.348 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.53 ' O ' ' CE2' ' A' ' 110' ' ' PHE . . . 97.38 -7.49 63.93 Favored Glycine 0 N--CA 1.465 0.585 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -84.17 134.55 34.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' A' ' 108' ' ' GLY . 13.5 m-85 -123.89 133.76 53.68 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -148.12 173.5 12.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.344 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -64.18 -18.41 64.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.371 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -63.19 -36.87 85.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.801 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.476 ' O ' ' CD2' ' A' ' 118' ' ' PHE . 61.5 mtp -56.41 -50.35 71.87 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.068 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.7 mm -65.06 -43.68 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.388 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -62.55 -40.66 97.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.346 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 82.7 p -59.67 -48.01 83.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.662 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.476 ' CD2' ' O ' ' A' ' 114' ' ' MET . 52.7 m-85 -66.72 -43.93 82.96 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.679 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -61.71 -48.36 81.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.129 0.49 . . . . 0.0 110.284 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 97.9 m -63.96 -43.73 94.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.56 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.28 -43.77 71.34 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.07 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.2 t -62.17 -42.17 99.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.661 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.8 mp -59.52 -47.44 85.53 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.591 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.07 -40.46 97.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.397 0.617 . . . . 0.0 110.216 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 53.1 mt -58.88 -43.51 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 C-N-CA 120.346 -0.542 . . . . 0.0 109.541 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -59.0 -42.63 90.54 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 121.547 0.689 . . . . 0.0 109.926 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.656 ' O ' HG22 ' A' ' 130' ' ' VAL . 94.2 t -56.66 -31.51 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.599 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 82.5 mt -72.19 -38.24 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.908 0.385 . . . . 0.0 110.924 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.555 HG22 HD21 ' A' ' 134' ' ' LEU . 30.4 p -60.03 -29.61 68.63 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.101 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 127' ' ' VAL . 2.8 m -52.88 -27.07 12.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.925 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -68.39 -12.97 61.94 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.601 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.92 12.81 84.05 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -124.59 86.0 2.5 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.555 HD21 HG22 ' A' ' 129' ' ' THR . 4.4 mt -97.08 138.06 35.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.073 0.463 . . . . 0.0 110.957 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.496 HG23 ' H ' ' A' ' 138' ' ' ASN . 0.2 OUTLIER -103.28 162.28 13.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.336 178.172 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.59 -36.83 81.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.349 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 137' ' ' GLU . 12.2 mp0 -61.59 -47.27 86.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.34 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.496 ' H ' HG23 ' A' ' 135' ' ' THR . 9.1 m-20 -61.64 -46.86 87.95 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.444 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.59 -47.93 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.398 0.618 . . . . 0.0 109.723 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -63.92 -42.22 97.45 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.568 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.604 ' NE2' ' CG ' ' A' ' 98' ' ' PHE . 62.9 t-80 -61.54 -43.7 98.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.022 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.63 HH21 ' NZ ' ' A' ' 143' ' ' LYS . 56.2 ttp180 -59.41 -45.22 92.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.592 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.63 ' NZ ' HH21 ' A' ' 142' ' ' ARG . 41.3 mmtm -63.11 -42.5 99.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.695 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -60.28 -47.76 84.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.343 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.4 87.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.212 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -54.44 45.64 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.754 0.312 . . . . 0.0 111.296 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . 0.411 ' CD1' ' N ' ' A' ' 147' ' ' TRP . 20.0 m0 -66.75 -39.8 88.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.907 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.75 -44.23 96.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.645 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.89 75.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.759 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 97.5 m -64.3 -43.9 93.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.537 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -58.55 -51.07 71.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.739 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.87 -43.17 93.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.454 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -56.39 -49.22 75.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.985 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.452 HD22 ' N ' ' A' ' 154' ' ' ASN . 0.9 OUTLIER -65.02 -39.3 93.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.496 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 45.1 t -56.99 -51.9 67.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.034 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.84 -36.09 82.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.456 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -55.19 -41.66 72.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.581 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -89.99 6.53 41.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.506 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.13 43.51 93.07 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -112.7 153.99 26.84 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.756 0.313 . . . . 0.0 110.448 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 18.3 m -88.36 118.9 69.99 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.515 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.31 165.99 29.74 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 121.894 1.729 . . . . 0.0 112.469 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.455 179.643 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.9 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.798 0.332 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.63 146.8 85.07 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.691 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -71.46 152.17 60.01 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.396 2.064 . . . . 0.0 111.496 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.4 mt -112.98 146.55 35.35 Favored Pre-proline 0 N--CA 1.469 0.502 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -70.77 167.28 26.21 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.055 1.837 . . . . 0.0 112.027 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -44.96 133.4 10.92 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.162 1.908 . . . . 0.0 111.695 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.4 HD22 HE21 ' A' ' 18' ' ' GLN . 1.3 tt -71.98 116.73 51.43 Favored Pre-proline 0 CA--C 1.544 0.726 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.574 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -58.18 150.55 65.19 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.03 1.82 . . . . 0.0 112.195 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.27 -22.45 61.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.578 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -60.53 -38.92 86.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -95.6 21.47 8.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.227 0.537 . . . . 0.0 110.71 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -62.12 -33.64 74.85 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.86 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 t -64.96 -46.52 81.17 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.359 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.3 pt -90.08 18.15 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.4 HE21 HD22 ' A' ' 10' ' ' LEU . 7.2 tt0 -59.84 -44.83 93.88 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.372 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -66.85 -38.98 87.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.007 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -54.4 -64.81 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.358 . . . . 0.0 111.593 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -41.04 97.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.283 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -57.63 -43.1 84.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.431 HG22 ' ND1' ' A' ' 27' ' ' HIS . 19.6 m -61.03 -43.14 99.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.028 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.23 91.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.591 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.474 HE21 ' NH2' ' A' ' 39' ' ' ARG . 78.7 mm-40 -57.07 -46.2 82.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.936 0.398 . . . . 0.0 110.398 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -70.17 -45.19 67.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.434 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.431 ' ND1' HG22 ' A' ' 23' ' ' THR . 32.5 m80 -67.81 -17.75 64.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.259 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -50.46 -27.25 6.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.355 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -97.31 -48.29 5.38 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.324 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -65.92 -43.7 87.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.734 0.302 . . . . 0.0 110.919 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -148.82 87.02 5.58 Favored Pre-proline 0 C--O 1.238 0.448 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.683 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.63 -35.87 79.12 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.727 2.285 . . . . 0.0 112.174 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.81 -45.38 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.528 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.61 -44.4 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.731 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.72 84.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.461 ' CE2' HD11 ' A' ' 67' ' ' LEU . 49.4 t80 -51.39 -56.96 10.34 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.671 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -63.32 -46.99 84.09 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.125 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.5 t -56.75 -38.45 72.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.406 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.614 HH11 ' CD1' ' A' ' 63' ' ' LEU . 3.6 mmt180 -63.69 -41.03 98.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.439 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.57 -44.57 89.8 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.399 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -60.97 -48.83 79.98 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.615 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.08 94.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.95 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.634 ' SD ' HD23 ' A' ' 67' ' ' LEU . 17.6 mtp -62.54 -44.25 96.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -55.61 -47.63 76.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.518 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.0 m -63.38 -43.18 98.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.55 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.03 -57.89 11.9 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.429 -0.669 . . . . 0.0 111.429 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 21.7 ptp -62.51 -34.17 76.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.439 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -60.64 -48.89 79.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 86.3 mt -65.58 -48.79 81.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.859 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 21.0 p30 -146.72 123.07 10.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.466 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 p -49.34 -98.18 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.726 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.71 108.07 4.26 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.492 HG22 ' H ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -89.36 163.98 31.7 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.53 -47.97 18.82 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.12 1.88 . . . . 0.0 113.347 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.417 ' H ' HG23 ' A' ' 53' ' ' THR . 77.3 tt0 -78.85 -63.54 1.39 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.07 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.492 ' H ' HG22 ' A' ' 53' ' ' THR . 9.1 t -43.2 -24.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.796 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -42.6 -42.6 3.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.75 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -64.08 -41.84 97.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.692 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -59.47 -52.07 67.18 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.493 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.84 -42.65 94.74 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.475 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.8 t -59.74 -55.0 39.82 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.257 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -66.07 -39.44 90.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.154 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.614 ' CD1' HH11 ' A' ' 39' ' ' ARG . 45.8 tp -60.82 -43.05 98.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.09 0.471 . . . . 0.0 110.47 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.1 mmt -64.05 -38.71 92.06 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.054 0.454 . . . . 0.0 110.162 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.22 -34.9 77.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.649 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.15 -36.68 82.36 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.496 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.634 HD23 ' SD ' ' A' ' 43' ' ' MET . 0.3 OUTLIER -60.89 -57.62 11.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.177 0.513 . . . . 0.0 111.102 -179.144 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -62.24 -31.11 71.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.877 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.58 79.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.475 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.0 mt -63.43 -42.12 98.7 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.303 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.22 -47.4 84.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.396 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -67.4 -33.79 75.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.661 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.0 -53.96 52.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.754 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.09 -44.22 66.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.641 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.29 -100.97 1.44 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -92.12 88.47 6.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.824 0.345 . . . . 0.0 111.212 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -124.11 131.58 53.56 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.15 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.33 -39.62 95.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.114 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.59 -24.51 66.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mm -90.5 -40.04 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.714 0.292 . . . . 0.0 110.628 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.1 p -76.99 -54.87 6.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.972 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -83.2 121.33 26.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 111.066 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.594 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 2.0 pm0 -72.14 -38.62 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.944 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.414 HG13 ' H ' ' A' ' 85' ' ' VAL . 2.5 pt -60.58 -43.64 95.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.55 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.414 ' H ' HG13 ' A' ' 84' ' ' ILE . 94.8 t -65.06 -44.74 95.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.35 -39.56 97.92 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.294 -1.123 . . . . 0.0 110.294 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 97.6 m -62.46 -38.79 91.16 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.301 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.54 -40.04 95.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.745 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.467 ' NE2' ' CE1' ' A' ' 93' ' ' TYR . 28.2 t60 -61.0 -46.08 92.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.627 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.59 -43.07 98.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.607 ' OE2' HD23 ' A' ' 95' ' ' LEU . 2.5 tm-20 -65.64 -38.47 89.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.954 0.407 . . . . 0.0 109.91 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -62.88 -39.79 95.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.424 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.467 ' CE1' ' NE2' ' A' ' 89' ' ' HIS . 2.0 m-85 -61.52 -44.55 96.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.729 0.299 . . . . 0.0 110.475 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.67 -46.67 83.96 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.342 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.607 HD23 ' OE2' ' A' ' 91' ' ' GLU . 3.7 mm? -64.0 -40.15 95.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.078 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -56.65 -49.09 76.05 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.493 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 66.3 mtm -68.22 -36.42 79.49 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.542 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.447 ' CD2' ' ND1' ' A' ' 141' ' ' HIS . 37.9 t80 -58.78 -49.54 77.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.3 mt -66.64 -40.03 88.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -58.14 -47.28 83.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.516 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.484 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -64.89 -43.78 91.78 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.077 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -59.85 -43.34 94.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.793 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -62.99 -42.54 99.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.509 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.37 -38.97 88.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.575 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -62.49 -46.48 88.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.746 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -28.51 69.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.79 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.9 -11.32 46.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.4 -14.58 60.74 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -76.86 135.81 38.86 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -129.49 131.81 46.76 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.472 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -151.44 -178.17 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.422 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -81.09 -18.86 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.542 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -64.34 -42.42 96.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.435 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 115' ' ' ILE . 11.8 ptm -61.63 -41.2 97.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.974 0.416 . . . . 0.0 110.923 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.428 ' N ' ' CG ' ' A' ' 114' ' ' MET . 95.8 mt -63.37 -43.58 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.919 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -62.82 -37.19 85.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.047 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.1 m -58.57 -45.69 88.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.176 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.484 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 46.5 m-85 -64.53 -43.48 93.89 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.964 0.411 . . . . 0.0 110.331 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -61.34 -43.51 98.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.864 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.9 m -61.67 -42.84 99.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.111 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -53.0 -50.13 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.118 0.485 . . . . 0.0 110.093 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m -59.31 -34.16 71.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.332 0.587 . . . . 0.0 109.959 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.36 -40.0 94.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.234 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 124' ' ' LEU . 0.5 OUTLIER -61.14 -40.07 92.44 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.64 179.466 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 129' ' ' THR . 37.5 mm -58.04 -45.69 88.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.64 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.472 ' O ' ' OG1' ' A' ' 129' ' ' THR . 97.8 m-20 -55.25 -48.82 73.4 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-O 121.453 0.644 . . . . 0.0 110.517 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.619 ' O ' HG22 ' A' ' 130' ' ' VAL . 47.7 t -58.32 -28.37 35.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.949 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.9 mt -83.4 -32.74 9.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.757 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 38.5 p -60.4 -25.89 66.25 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.18 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 127' ' ' VAL . 10.9 m -52.8 -34.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.305 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -67.96 -38.49 82.83 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.88 0.372 . . . . 0.0 111.115 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 103.24 -11.97 55.11 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.431 ' O ' HD22 ' A' ' 134' ' ' LEU . 95.2 mt-10 -91.69 104.45 16.91 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 122.752 -0.263 . . . . 0.0 110.543 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.431 HD22 ' O ' ' A' ' 133' ' ' GLU . 0.9 OUTLIER -125.82 119.13 27.06 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.389 0.614 . . . . 0.0 110.274 179.37 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.5 HG23 ' H ' ' A' ' 138' ' ' ASN . 1.2 t -92.47 165.96 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.813 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.78 -41.16 94.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.983 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -56.66 -48.08 78.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.366 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.5 ' H ' HG23 ' A' ' 135' ' ' THR . 86.9 m-20 -61.22 -40.66 94.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.976 0.417 . . . . 0.0 110.488 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.37 -40.92 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.242 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -58.14 -43.49 87.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.543 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.447 ' ND1' ' CD2' ' A' ' 98' ' ' PHE . 18.1 m-70 -62.96 -43.57 98.42 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 44.5 ttp85 -60.54 -48.02 83.59 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.016 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -67.44 -44.55 78.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.853 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 144' ' ' TYR . 29.7 t80 -60.21 -45.46 93.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.335 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.36 77.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.997 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -64.14 -38.23 90.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -68.39 -54.82 14.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.679 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -67.34 -38.46 84.89 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.916 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.64 -51.25 70.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.838 0.351 . . . . 0.0 110.363 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.1 m -65.26 -41.55 94.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.509 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.457 ' CE1' ' SG ' ' A' ' 155' ' ' CYS . 33.1 t80 -56.72 -47.86 79.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.13 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 86.6 mt -64.38 -43.97 97.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.523 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -58.73 -49.6 77.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.021 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -62.67 -43.94 97.52 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.935 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . 0.457 ' SG ' ' CE1' ' A' ' 151' ' ' TYR . 84.8 m -65.22 -50.64 65.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 156' ' ' LEU . 10.8 tp -64.24 -35.37 80.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.838 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -57.39 -42.0 81.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.267 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -82.59 8.1 12.8 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.461 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 69.13 24.08 76.01 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -105.73 143.02 34.47 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 110.482 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 96.9 m -79.46 118.38 72.13 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.376 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -68.83 159.36 54.12 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 121.387 1.391 . . . . 0.0 112.735 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.175 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--O 1.23 0.06 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.01 161.46 24.76 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -51.98 158.68 4.58 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 122.344 2.029 . . . . 0.0 111.808 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.2 mt -111.65 155.74 42.56 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.4 163.99 7.68 Favored 'Trans proline' 0 N--CA 1.507 2.293 0 C-N-CA 122.272 1.982 . . . . 0.0 111.654 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.06 127.48 19.64 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.482 2.121 . . . . 0.0 111.898 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.5 tp -47.78 111.6 1.78 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.8 146.63 65.87 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 121.473 1.449 . . . . 0.0 111.732 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.31 93.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.005 0.431 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.615 ' H ' ' CD ' ' A' ' 13' ' ' GLN . 5.3 pm0 -66.56 -31.82 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.451 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -85.9 15.63 4.76 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.456 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -57.53 -31.85 66.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.841 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.6 m -59.79 -42.23 92.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.237 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.5 pt -92.74 18.04 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.111 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -54.96 -56.33 20.86 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 120.828 0.347 . . . . 0.0 110.517 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -68.82 -28.72 67.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.362 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -58.72 -63.86 1.14 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.181 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.85 -39.38 94.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.872 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -59.49 -43.62 93.28 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.498 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.3 m -61.44 -41.97 98.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.028 0.442 . . . . 0.0 110.096 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.5 -38.21 90.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.779 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -51.59 69.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.266 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.69 -37.54 86.76 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.329 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -65.04 -31.86 73.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.13 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -47.3 -32.52 4.78 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.421 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -80.27 -49.7 11.22 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.842 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -68.77 -41.75 78.39 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.302 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -154.46 121.53 2.84 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -75.15 -30.78 6.6 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 121.969 1.779 . . . . 0.0 112.637 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.4 t -62.4 -44.85 99.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.799 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.4 t -60.83 -45.12 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.075 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.77 85.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -53.17 -58.3 7.53 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.942 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -63.31 -46.0 88.75 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.065 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.7 t -58.07 -42.83 86.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.084 0.468 . . . . 0.0 110.207 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.687 HH11 HD11 ' A' ' 63' ' ' LEU . 53.7 ttm-85 -61.42 -41.48 97.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.43 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.2 tp -55.39 -44.34 76.04 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.022 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 35.2 t80 -60.0 -48.25 82.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.415 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.59 83.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.938 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.6 mtp -63.09 -64.29 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.655 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -59.53 -39.9 85.45 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.33 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.9 m -61.48 -52.08 66.02 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.81 -35.71 91.25 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 18.5 ttp -63.28 -41.13 98.96 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 120.857 0.361 . . . . 0.0 110.499 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.5 -40.44 91.36 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.357 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.3 mm -41.49 -87.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.821 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -100.63 -115.48 0.17 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.645 0.26 . . . . 0.0 110.443 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.3 m -155.67 -117.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.892 0.377 . . . . 0.0 110.152 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -137.96 96.85 3.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.141 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -106.81 154.46 40.15 Favored Pre-proline 0 N--CA 1.468 0.472 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.047 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -34.18 -30.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.818 2.345 . . . . 0.0 112.247 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' THR . 1.5 tm-20 -84.9 -60.92 1.91 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.446 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.419 ' H ' HG23 ' A' ' 53' ' ' THR . 9.1 t -62.73 -24.23 67.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -42.58 -54.23 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.233 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -64.58 -39.16 93.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.47 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -59.17 -54.69 44.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.506 ' O ' ' SD ' ' A' ' 64' ' ' MET . 80.4 mt -68.34 -43.09 78.24 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.475 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.1 t -61.54 -50.4 72.83 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.064 0.459 . . . . 0.0 111.209 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -65.3 -42.97 92.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.687 HD11 HH11 ' A' ' 39' ' ' ARG . 37.4 tp -62.83 -38.83 92.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.307 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -59.93 -44.01 94.6 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.885 0.374 . . . . 0.0 110.61 178.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.43 -38.76 90.97 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.544 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.02 -45.31 87.13 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.842 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.12 -42.35 98.37 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.285 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -61.73 -37.84 85.7 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.08 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.18 80.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.687 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.3 mt -62.98 -41.96 99.71 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.306 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -61.84 -49.25 77.01 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.389 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -66.1 -40.7 90.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.095 0.474 . . . . 0.0 110.544 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -54.0 -53.75 48.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.522 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.56 HD22 ' ND2' ' A' ' 77' ' ' ASN . 85.7 mt -71.86 -43.36 65.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.997 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.76 -94.94 0.14 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 28.5 p-10 -90.04 84.06 6.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.84 0.353 . . . . 0.0 111.422 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.56 ' ND2' HD22 ' A' ' 74' ' ' LEU . 1.1 m-20 -122.77 136.29 54.82 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.238 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 82' ' ' GLN . 84.4 mt-10 -63.72 -43.98 94.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.739 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.56 95.15 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.838 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.6 mm -70.74 -43.69 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.794 0.331 . . . . 0.0 110.79 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 59.0 p -81.36 -63.58 1.37 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.75 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 78' ' ' GLU . 62.4 mt-30 -76.18 117.26 17.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.023 0.44 . . . . 0.0 110.176 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.598 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -68.22 -40.7 82.03 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.645 -179.505 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.4 HG13 ' H ' ' A' ' 85' ' ' VAL . 3.7 pt -56.19 -42.85 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.469 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.4 ' H ' HG13 ' A' ' 84' ' ' ILE . 96.1 t -65.61 -44.74 93.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.82 0.343 . . . . 0.0 110.505 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.53 -42.83 99.66 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.62 -40.78 84.64 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.67 84.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.331 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -61.9 -50.65 71.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.638 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.74 -42.96 97.79 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.449 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -56.65 -46.33 81.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.932 0.396 . . . . 0.0 110.489 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.91 -39.08 87.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.321 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -47.34 86.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.63 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.93 89.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.16 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.96 -43.83 98.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.469 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.88 -48.17 83.04 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.344 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 69.4 mtm -69.63 -40.09 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.196 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -60.88 -46.52 90.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.678 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.3 -38.17 89.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.416 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -56.66 -49.45 75.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.434 ' HB3' ' CE1' ' A' ' 118' ' ' PHE . . . -65.78 -47.92 73.54 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.417 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -58.1 -41.61 83.88 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.352 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -62.55 -41.68 99.05 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.687 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -68.28 -35.05 77.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.029 0.442 . . . . 0.0 110.281 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.34 -49.42 77.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.558 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -67.52 -26.8 66.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.567 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.95 -22.21 66.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.64 30.71 11.25 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -132.49 140.68 48.46 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.79 0.328 . . . . 0.0 110.525 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -123.77 135.36 53.77 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.453 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -146.83 158.47 43.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.203 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -61.52 -26.28 67.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.402 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -61.01 -33.99 74.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.376 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 88.9 mtp -61.47 -44.84 96.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.809 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.77 -44.58 89.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.938 0.399 . . . . 0.0 110.441 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -64.27 -40.8 96.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.276 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.4 t -61.56 -44.82 96.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.301 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.434 ' CE1' ' HB3' ' A' ' 101' ' ' ALA . 1.1 m-85 -64.96 -42.36 94.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.802 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -60.98 -45.63 94.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.164 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.2 m -62.08 -43.06 99.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.821 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.74 -49.91 71.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.682 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.5 t -58.6 -40.27 82.77 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.113 0.482 . . . . 0.0 111.097 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.95 -40.86 90.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.293 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.7 tp -62.37 -40.8 97.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.626 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.474 ' O ' HG23 ' A' ' 129' ' ' THR . 49.5 mm -53.71 -46.85 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.078 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -55.75 -46.03 77.92 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.261 0.553 . . . . 0.0 109.817 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.619 ' O ' HG22 ' A' ' 130' ' ' VAL . 63.5 t -59.49 -26.71 35.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.372 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 98.6 mt -83.05 -29.99 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 120.951 0.405 . . . . 0.0 110.498 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.608 HG22 HD11 ' A' ' 134' ' ' LEU . 73.1 p -65.85 -30.42 71.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.747 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 127' ' ' VAL . 4.0 m -52.82 -22.76 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.828 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -63.14 -29.87 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.57 -15.57 55.74 Favored Glycine 0 N--CA 1.465 0.604 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -116.18 122.81 46.15 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.608 HD11 HG22 ' A' ' 129' ' ' THR . 1.6 mt -120.31 145.22 47.32 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.051 0.453 . . . . 0.0 110.289 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.454 HG23 ' H ' ' A' ' 138' ' ' ASN . 1.2 t -104.08 160.55 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.537 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -61.59 -41.9 98.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.525 ' O ' ' ND1' ' A' ' 141' ' ' HIS . 93.4 mt-10 -55.42 -49.9 71.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.454 ' H ' HG23 ' A' ' 135' ' ' THR . 98.3 m-20 -64.95 -40.85 95.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 43.6 t -60.93 -47.02 95.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 120.965 0.412 . . . . 0.0 110.002 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -64.77 -44.05 91.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.804 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 137' ' ' GLU . 2.3 m80 -59.7 -38.19 80.92 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -61.54 -54.71 39.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.992 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -67.29 -42.28 84.04 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.928 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.45 -44.71 95.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.42 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.573 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -49.69 75.89 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 111.104 -179.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -72.23 -45.09 61.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.053 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -59.18 -45.97 89.64 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.03 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.35 -53.16 60.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 0.0 111.082 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.6 m -64.23 -41.65 96.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.482 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 80.9 t80 -57.75 -47.71 81.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.855 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.77 -43.09 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.96 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -49.0 77.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.696 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.415 ' N ' HD22 ' A' ' 154' ' ' ASN . 1.3 m120 -65.7 -39.78 91.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.694 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 89.8 m -59.24 -48.1 82.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.202 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.57 -40.63 97.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.394 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -58.62 -45.33 89.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.974 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -74.83 -15.71 60.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.814 0.34 . . . . 0.0 110.777 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 89.48 12.4 62.92 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -88.11 143.75 26.89 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.158 0.504 . . . . 0.0 110.285 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.6 p -79.75 116.48 61.29 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.748 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -52.34 152.9 14.41 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.865 1.71 . . . . 0.0 112.505 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.214 179.578 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 ptm . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.32 142.35 56.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.507 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.14 153.55 29.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.469 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.0 mt -122.21 141.1 51.82 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.468 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.54 153.83 3.65 Favored Pre-proline 0 N--CA 1.445 -0.716 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.655 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.449 ' C ' HD22 ' A' ' 7' ' ' LEU . 34.8 Cg_exo -59.62 147.57 91.28 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 123.041 2.494 . . . . 0.0 112.244 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.849 HD22 ' N ' ' A' ' 7' ' ' LEU . 2.2 mm? -98.35 141.45 22.97 Favored Pre-proline 0 N--CA 1.449 -0.521 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.145 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.8 173.35 0.55 Allowed 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.541 2.16 . . . . 0.0 112.118 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -53.85 135.91 64.38 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.665 2.243 . . . . 0.0 112.177 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tt -92.76 111.83 52.95 Favored Pre-proline 0 N--CA 1.444 -0.739 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.92 164.54 35.29 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.706 2.27 . . . . 0.0 112.146 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.65 -20.33 63.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -60.25 -40.34 89.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.976 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.46 ' CZ ' ' OD2' ' A' ' 50' ' ' ASP . 48.5 m-85 -99.12 18.59 17.03 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.109 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -65.83 -30.47 71.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.999 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 t -66.85 -34.17 77.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.631 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.0 pt -100.86 2.83 10.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.722 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -54.55 -41.08 69.33 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.637 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -63.64 -34.1 77.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.901 0.382 . . . . 0.0 110.561 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.414 ' CD2' ' CE2' ' A' ' 41' ' ' TYR . 76.1 m80 -66.51 -63.82 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.323 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 22' ' ' ARG . 3.2 pp -58.29 -33.77 69.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.338 -179.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.557 ' N ' HD12 ' A' ' 21' ' ' LEU . 65.1 ttt-85 -60.7 -47.53 85.84 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.357 0.599 . . . . 0.0 110.27 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.404 HG22 ' HD1' ' A' ' 27' ' ' HIS . 6.5 m -63.5 -38.11 89.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.019 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.56 81.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.456 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.724 ' NE2' HH22 ' A' ' 39' ' ' ARG . 74.0 mm-40 -57.59 -36.69 72.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.115 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -69.93 -42.91 72.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.07 0.462 . . . . 0.0 110.736 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 30' ' ' ARG . 16.2 m80 -65.04 -32.86 74.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.618 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -42.59 -31.33 0.44 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.557 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -87.73 -28.09 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.677 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' HIS . 23.7 ttm180 -88.44 -52.8 4.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' HIS . 19.9 m-20 -151.98 126.1 4.45 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.762 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.55 -26.71 11.6 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.535 2.156 . . . . 0.0 112.159 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.7 -47.38 91.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.006 0.432 . . . . 0.0 110.768 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.6 t -60.67 -43.89 95.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.369 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.16 82.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.441 ' CD2' HD11 ' A' ' 67' ' ' LEU . 37.4 t80 -50.79 -53.59 30.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.37 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -64.46 -40.3 95.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.733 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.25 -48.04 83.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.724 HH22 ' NE2' ' A' ' 25' ' ' GLN . 79.1 mtt-85 -61.24 -34.8 75.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.485 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.16 -44.12 95.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.041 0.448 . . . . 0.0 110.512 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CE2' ' CD2' ' A' ' 20' ' ' HIS . 61.7 t80 -62.53 -43.98 97.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.671 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.05 94.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.6 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.573 ' SD ' ' SD ' ' A' ' 64' ' ' MET . 7.4 mtt -61.42 -47.16 87.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.038 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.415 HE22 ' HB ' ' A' ' 130' ' ' VAL . 36.4 mt-30 -55.95 -55.79 28.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.649 0.593 . . . . 0.0 110.691 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -64.08 -26.1 68.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.9 0.381 . . . . 0.0 110.423 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.468 ' O ' ' OD1' ' A' ' 50' ' ' ASP . . . -67.82 -54.56 17.75 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 20.1 ptp -60.99 -37.35 82.18 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.606 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -61.99 -44.82 95.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.722 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.9 mt -66.81 -45.53 87.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.494 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.468 ' OD1' ' O ' ' A' ' 46' ' ' GLY . 1.1 p30 -145.03 102.37 3.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.215 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.1 m -48.89 -91.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.551 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.586 ' HZ2' ' HB2' ' A' ' 52' ' ' LYS . 7.2 mtmp? -132.25 98.15 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.412 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.2 m -104.21 129.68 24.71 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -40.72 -30.99 0.6 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.62 2.213 . . . . 0.0 112.316 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -85.46 -60.22 2.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.555 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 57.7 m -61.37 -26.6 67.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.45 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -42.94 -39.38 2.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.565 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 58' ' ' LYS . 5.0 mptp? -63.28 -45.27 92.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.675 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -63.76 -43.21 97.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.326 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.541 ' O ' ' SD ' ' A' ' 64' ' ' MET . 63.2 mt -63.03 -46.0 89.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.349 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 p -58.99 -44.66 91.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.489 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -66.57 -46.77 74.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.904 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.28 -43.75 98.37 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.281 0.562 . . . . 0.0 110.915 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.573 ' SD ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -60.12 -41.34 92.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.19 179.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.72 -39.08 90.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.255 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.472 ' NE2' HD21 ' A' ' 7' ' ' LEU . 54.8 mt-30 -53.29 -48.1 68.64 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.516 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.441 HD11 ' CD2' ' A' ' 36' ' ' TYR . 21.1 tp -62.61 -42.02 99.34 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.184 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.3 -38.27 88.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.945 0.402 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.73 -46.03 91.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.648 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.06 -39.57 90.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -58.28 -48.75 79.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.496 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -73.94 -31.17 62.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.612 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -56.54 -43.95 80.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.59 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 mt -86.82 -47.23 9.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.696 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.58 -97.51 1.83 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -91.86 89.15 6.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.459 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -128.5 130.47 47.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.676 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -63.39 -38.93 93.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.603 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.1 -38.77 83.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.927 0.394 . . . . 0.0 110.585 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.7 mm -80.73 -49.24 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.8 p -67.6 -48.1 67.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -97.67 115.12 27.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.366 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.496 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 18.3 pt-20 -70.63 -36.62 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.844 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pt -57.81 -44.61 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.453 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.82 -45.24 99.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.104 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.87 -35.23 91.74 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.565 ' SG ' ' CZ ' ' A' ' 131' ' ' PHE . 70.7 m -63.92 -47.36 80.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.85 0.357 . . . . 0.0 110.592 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.05 85.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.473 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -62.67 -45.74 91.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.498 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.58 -44.67 95.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.739 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -58.26 -42.08 85.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.314 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.407 HD22 ' C ' ' A' ' 92' ' ' ASN . 0.3 OUTLIER -62.81 -39.61 94.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.447 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.32 -45.55 91.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.658 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.457 ' HB2' HD23 ' A' ' 124' ' ' LEU . . . -63.54 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.364 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 95' ' ' LEU . 1.9 mm? -63.1 -42.3 99.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.665 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -58.94 -47.18 85.98 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.595 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 77.0 mtm -67.87 -36.79 80.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.602 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -61.39 -47.88 83.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.163 0.506 . . . . 0.0 110.401 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.04 -42.02 97.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.474 ' CE2' ' OE1' ' A' ' 104' ' ' GLU . 78.9 t80 -53.97 -46.78 71.76 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.265 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.464 ' O ' ' SD ' ' A' ' 114' ' ' MET . . . -62.13 -45.14 94.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.734 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -62.57 -37.14 85.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.172 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.69 -41.33 97.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.424 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.474 ' OE1' ' CE2' ' A' ' 100' ' ' TYR . 45.1 mt-10 -65.36 -37.12 86.09 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.655 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.2 -44.16 96.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.615 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -62.08 -35.34 78.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.03 -13.5 58.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.533 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.1 26.93 57.06 Favored Glycine 0 CA--C 1.518 0.243 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -133.72 138.61 45.91 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.796 0.331 . . . . 0.0 110.256 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -124.17 136.88 54.5 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.973 0.415 . . . . 0.0 110.226 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -138.73 164.92 28.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.459 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -58.96 -19.12 40.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.544 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -66.02 -37.59 86.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.603 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.489 ' O ' ' OG ' ' A' ' 117' ' ' SER . 5.7 tpp -58.46 -46.76 85.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.615 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 62.7 mt -64.02 -44.41 97.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.33 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.94 -40.16 96.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' A' ' 114' ' ' MET . 62.8 p -62.14 -46.25 89.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.638 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -62.66 -42.27 99.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -62.58 -42.42 99.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.252 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 92.1 m -62.45 -42.66 99.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.277 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.7 89.29 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.383 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.0 t -58.26 -40.72 82.56 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.444 0.64 . . . . 0.0 110.262 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.29 -43.22 92.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.482 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' A' ' 94' ' ' ALA . 7.3 tp -62.44 -39.69 94.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.278 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 129' ' ' THR . 39.9 mm -54.06 -46.18 65.94 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.078 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.49 ' O ' ' OG1' ' A' ' 129' ' ' THR . 12.4 m-20 -57.71 -47.97 80.89 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.845 0.831 . . . . 0.0 110.343 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.635 ' O ' HG22 ' A' ' 130' ' ' VAL . 43.8 t -54.1 -27.28 16.2 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.085 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 97.8 mt -83.4 -33.82 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.25 0.548 . . . . 0.0 110.361 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 75.7 p -62.05 -23.71 66.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.916 0.389 . . . . 0.0 110.475 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 127' ' ' VAL . 10.2 m -53.86 -33.15 23.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.53 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.565 ' CZ ' ' SG ' ' A' ' 87' ' ' CYS . 57.9 m-85 -63.41 -6.01 4.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.49 2.05 78.61 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -126.07 138.57 53.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 134' ' ' LEU . 6.4 mt -127.23 140.83 51.96 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.968 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 10.6 p -90.14 160.96 15.99 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.36 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.9 -41.93 98.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.066 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -69.06 -38.11 78.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.599 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -59.28 -48.39 81.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.452 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.11 -44.29 95.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.342 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -62.9 -43.03 99.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.693 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.93 -42.08 93.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -57.09 -51.34 69.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.308 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -63.48 -43.31 97.64 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.418 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -60.56 -46.48 90.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.249 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.59 95.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.686 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -60.77 -45.1 95.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.481 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -68.64 -50.85 48.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.609 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -59.09 -45.57 90.52 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.924 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.16 78.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.341 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 25.3 m -70.09 -45.04 67.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -57.73 -48.69 78.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.472 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.5 -44.13 99.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.448 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -64.27 -44.1 92.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.396 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -64.37 -41.29 96.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.783 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 5.5 m -59.09 -47.77 84.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.428 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.76 -41.02 98.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.8 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -62.0 -39.26 91.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.511 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -80.24 -5.32 55.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.529 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 76.04 32.86 51.71 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -114.65 139.2 49.84 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.963 0.411 . . . . 0.0 110.498 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.88 118.76 71.02 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.58 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.75 151.17 15.58 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.611 2.207 . . . . 0.0 112.27 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . 0.522 ' O ' ' NE2' ' A' ' 163' ' ' GLN . 1.7 pm0 . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.485 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 mmm . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.41 158.89 15.23 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.42 154.29 34.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.355 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.502 ' CD1' HH22 ' A' ' 39' ' ' ARG . 4.9 mt -87.85 144.63 26.49 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.552 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.32 148.28 80.44 Favored Pre-proline 0 CA--C 1.537 0.478 0 C-N-CA 120.244 -0.583 . . . . 0.0 110.487 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.05 138.48 21.79 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.509 2.139 . . . . 0.0 112.577 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.491 ' CD1' ' NE2' ' A' ' 66' ' ' GLN . 6.2 mp -89.35 156.15 48.52 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.474 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -69.42 163.0 39.66 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.157 1.904 . . . . 0.0 112.101 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -50.28 128.14 22.0 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.427 2.085 . . . . 0.0 112.042 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.455 ' CD1' HD21 ' A' ' 21' ' ' LEU . 1.7 tt -78.41 116.63 60.76 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.91 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.39 157.95 48.82 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.39 2.06 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 -34.67 72.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.655 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -54.96 -18.92 5.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.512 ' HD2' HD11 ' A' ' 17' ' ' ILE . 16.2 m-85 -115.35 21.87 13.73 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.02 0.438 . . . . 0.0 110.628 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -13.14 62.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.5 m -72.46 -16.61 61.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.706 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.512 HD11 ' HD2' ' A' ' 14' ' ' PHE . 15.6 pt -126.91 23.02 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.049 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -61.55 -45.67 93.17 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -71.29 -32.09 68.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -60.07 -64.85 0.8 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.102 0.477 . . . . 0.0 111.105 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -59.33 -38.67 80.9 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.375 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -55.89 -42.17 75.54 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 m -61.98 -45.26 94.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.148 0.499 . . . . 0.0 109.909 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.91 78.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.844 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.471 ' O ' ' OD2' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -61.11 -45.93 92.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.855 -179.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' A' ' 26' ' ' GLU . 19.2 pt-20 -78.07 -27.16 48.52 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.875 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -82.27 -16.96 47.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.455 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -47.12 -41.86 18.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.159 0.504 . . . . 0.0 110.462 -179.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -83.62 -43.2 15.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.517 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.23 -48.24 82.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.994 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -155.64 114.56 2.23 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.942 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.88 -30.63 16.78 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.215 1.944 . . . . 0.0 112.205 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.45 -45.26 96.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.489 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.4 t -64.23 -44.33 97.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.336 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.08 86.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 31.2 t80 -60.14 -50.89 71.92 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.911 0.386 . . . . 0.0 110.783 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -66.69 -42.54 86.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.794 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.6 m -59.33 -41.98 90.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.502 HH22 ' CD1' ' A' ' 4' ' ' LEU . 95.1 mtt180 -64.69 -36.7 85.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.468 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.8 tp -59.16 -49.22 78.69 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.675 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -62.37 -44.28 96.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.055 0.455 . . . . 0.0 110.825 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.23 78.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.058 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.574 ' SD ' ' SD ' ' A' ' 64' ' ' MET . 5.4 mtm -62.76 -58.29 7.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.537 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -42.72 -48.09 5.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.964 0.411 . . . . 0.0 110.545 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.6 m -65.84 -43.86 87.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.66 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -54.76 -60.45 8.67 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 23.2 ptp -55.74 -36.36 67.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.672 0.272 . . . . 0.0 110.399 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -56.7 -37.01 70.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.076 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.7 mt -75.6 -70.0 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.0 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -115.92 107.94 15.63 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.054 0.454 . . . . 0.0 109.885 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 p -54.15 -83.51 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.358 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -135.46 97.72 3.76 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -107.76 131.44 21.73 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.055 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -38.13 -35.87 0.45 Allowed 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.152 1.901 . . . . 0.0 112.66 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -86.32 -60.17 2.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 58.1 m -57.48 -29.05 63.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.605 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -42.49 -36.04 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.246 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -63.22 -49.58 73.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.61 -49.01 79.26 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.997 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.15 -42.51 98.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.778 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.4 t -63.74 -53.57 48.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.913 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -43.96 97.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.284 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.5 tp -61.22 -43.65 98.53 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 119.901 -0.719 . . . . 0.0 110.271 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.574 ' SD ' ' SD ' ' A' ' 43' ' ' MET . 8.4 mmt -63.83 -41.19 97.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.374 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 9.9 m-20 -65.11 -28.9 69.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.007 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.491 ' NE2' ' CD1' ' A' ' 7' ' ' LEU . 10.9 mt-30 -69.44 -43.17 73.86 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.078 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 tp -62.76 -45.02 94.61 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.983 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 0.8 OUTLIER -64.22 -29.83 70.91 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.02 0.438 . . . . 0.0 110.171 -179.599 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.01 -41.24 91.29 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.254 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.51 -41.1 98.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.951 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 75' ' ' GLY . 36.3 ttmt -60.68 -44.62 96.29 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.928 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -67.79 -35.66 79.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -57.85 -50.94 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.669 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.8 mt -89.16 -37.26 15.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.992 0.425 . . . . 0.0 110.728 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . 66.93 -93.06 0.21 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -95.91 87.46 4.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 110.887 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -115.21 143.24 45.55 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.031 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -60.15 -40.45 89.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.405 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.67 -41.71 71.71 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.247 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mm -68.91 -43.67 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.559 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.4 p -69.85 -45.37 67.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.029 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -102.95 115.97 31.63 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.255 0.55 . . . . 0.0 110.813 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.69 -34.21 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.535 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 pt -63.53 -42.71 97.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.537 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.99 -46.66 95.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.971 0.415 . . . . 0.0 110.112 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.17 -35.61 92.31 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.34 -49.54 75.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.814 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.21 82.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.533 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -59.75 -49.62 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.51 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.99 -44.63 95.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.988 0.423 . . . . 0.0 110.403 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.24 -46.09 76.02 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.617 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.505 HD22 ' C ' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -61.17 -39.31 89.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.908 0.385 . . . . 0.0 110.438 -179.692 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -51.72 68.62 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.091 0.472 . . . . 0.0 110.773 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.86 -36.11 74.05 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.45 -40.67 97.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.4 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -47.45 85.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -69.41 -37.56 77.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.752 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -58.44 -48.3 81.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.956 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.65 -40.95 93.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.843 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.48 -46.12 89.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.763 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.479 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -61.87 -46.25 90.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.056 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -62.28 -44.0 97.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.038 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -62.4 -43.73 98.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.01 0.434 . . . . 0.0 110.843 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.558 ' CD ' HD21 ' A' ' 113' ' ' ASN . 75.9 tt0 -62.32 -37.98 87.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.51 -47.3 84.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.774 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -67.95 -17.67 64.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.395 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 104' ' ' GLU . . . -62.42 -22.02 65.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.437 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 97.63 1.96 58.78 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -129.25 151.86 49.45 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.734 0.302 . . . . 0.0 110.196 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.514 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 0.5 OUTLIER -132.05 144.03 50.47 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.5 -179.072 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -146.86 160.9 41.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.231 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -55.73 -23.44 29.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.558 HD21 ' CD ' ' A' ' 104' ' ' GLU . 28.3 p-10 -60.26 -39.9 88.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.726 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.472 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 30.1 ttm -61.01 -42.66 98.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.686 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.66 -44.67 98.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.49 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -63.9 -38.81 92.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.4 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.4 t -62.09 -46.99 86.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.434 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.479 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 1.1 m-85 -67.34 -41.85 84.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.523 ' CE2' HD11 ' A' ' 123' ' ' LEU . 32.1 t80 -58.37 -42.09 86.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.047 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 35.6 m -63.91 -43.62 95.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.727 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.45 -48.14 79.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 125' ' ' ILE . 16.6 m -58.98 -42.71 90.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.954 0.406 . . . . 0.0 110.431 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 119' ' ' TYR . 74.0 mt -62.26 -44.94 95.39 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.976 0.417 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.9 tp -63.17 -39.51 94.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.313 0.577 . . . . 0.0 109.987 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 129' ' ' THR . 54.5 mt -56.86 -42.22 77.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.537 ' O ' ' OG1' ' A' ' 129' ' ' THR . 87.7 m-20 -60.8 -41.94 96.62 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 122.411 1.101 . . . . 0.0 109.328 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.741 ' O ' HG22 ' A' ' 130' ' ' VAL . 57.6 t -60.05 -25.9 34.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.742 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.22 -26.63 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 121.25 0.548 . . . . 0.0 110.684 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.556 ' HA ' HD23 ' A' ' 134' ' ' LEU . 41.1 p -66.13 -31.0 71.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.57 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 127' ' ' VAL . 16.6 m -54.24 -21.83 6.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.75 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -62.42 -43.24 99.3 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.399 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.31 -22.12 14.12 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 2.8 pm0 -111.3 117.65 33.73 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 120.772 0.32 . . . . 0.0 110.168 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -135.71 126.2 26.86 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.704 -179.579 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.448 ' H ' HG22 ' A' ' 135' ' ' THR . 0.5 OUTLIER -79.83 161.87 25.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.304 179.4 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 137' ' ' GLU . 18.3 p-10 -63.39 -46.14 87.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.745 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 136' ' ' ASP . 73.4 tt0 -46.62 -56.45 6.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.271 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.472 HD22 ' N ' ' A' ' 138' ' ' ASN . 1.6 m120 -58.7 -40.71 84.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.383 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.38 -42.06 94.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.948 0.404 . . . . 0.0 110.2 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -58.55 -39.2 79.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.147 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -65.16 -38.88 91.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.575 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -57.68 -57.37 13.04 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -64.84 -38.66 91.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.017 0.437 . . . . 0.0 110.434 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -59.38 -46.25 89.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.428 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.55 -40.97 93.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.086 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -53.49 -45.71 69.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.905 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -75.0 -47.19 30.35 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.048 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -60.65 -47.27 87.01 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.16 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.39 -50.67 70.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.619 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 18.2 m -65.13 -43.21 92.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -57.41 -52.35 65.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.22 -44.34 95.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.669 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . 0.506 ' CD2' ' NZ ' ' A' ' 157' ' ' LYS . 85.7 t60 -56.28 -45.95 79.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.764 0.316 . . . . 0.0 110.785 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.585 HD22 ' N ' ' A' ' 154' ' ' ASN . 1.7 m120 -65.39 -37.37 86.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 66.3 m -61.31 -51.11 70.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.222 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.37 -39.67 95.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.303 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.506 ' NZ ' ' CD2' ' A' ' 153' ' ' HIS . 3.6 ttpm? -62.33 -32.03 72.75 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.8 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -86.23 -11.94 51.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 83.25 25.87 46.24 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -112.69 141.49 46.42 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.064 0.459 . . . . 0.0 110.479 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 4.5 m -78.56 129.26 74.91 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.728 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.85 168.35 23.24 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.553 2.168 . . . . 0.0 112.3 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.21 179.855 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ptp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.58 139.84 35.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.309 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -133.15 145.85 51.04 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.278 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.5 mt -90.05 144.07 26.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.468 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.77 153.36 88.13 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.578 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.02 149.98 77.45 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.71 2.274 . . . . 0.0 111.871 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.424 HD11 ' NE2' ' A' ' 66' ' ' GLN . 4.8 mp -104.34 153.55 38.96 Favored Pre-proline 0 C--O 1.234 0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.059 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.77 163.84 1.19 Allowed 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.295 1.997 . . . . 0.0 112.016 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.7 135.98 49.68 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.951 2.434 . . . . 0.0 112.013 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -75.39 119.12 75.56 Favored Pre-proline 0 N--CA 1.445 -0.685 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.287 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.97 156.14 38.65 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.624 2.216 . . . . 0.0 112.005 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.16 -25.97 59.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.476 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.54 -43.26 94.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.652 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.7 m-30 -85.06 10.34 12.26 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.113 0.482 . . . . 0.0 110.763 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -59.31 -28.12 66.49 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.611 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.9 p -69.54 -14.42 62.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.25 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.9 pt -122.53 23.4 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.565 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -66.88 -54.21 24.54 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.865 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -68.34 -20.51 64.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.414 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.475 ' CD2' ' CE2' ' A' ' 41' ' ' TYR . 18.9 m80 -69.79 -65.67 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.045 0.45 . . . . 0.0 111.05 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 22' ' ' ARG . 1.5 pp -63.17 -34.72 78.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.606 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' N ' HD12 ' A' ' 21' ' ' LEU . 32.0 ttm-85 -60.42 -46.88 88.43 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.949 0.404 . . . . 0.0 110.721 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.4 m -68.47 -30.19 68.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.392 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.37 -57.06 14.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -62.36 -38.93 91.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.549 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -60.47 -51.23 70.35 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.718 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' ARG . 1.6 m80 -61.72 -37.13 83.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.682 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -42.68 -33.2 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.3 -42.64 99.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.424 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' HIS . 26.0 mmt180 -85.96 -52.29 5.81 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.993 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -135.53 120.62 13.6 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.629 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.86 -28.1 9.72 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.65 2.234 . . . . 0.0 112.084 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -62.27 -45.4 98.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.3 t -60.31 -44.77 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.103 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.69 -50.46 73.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.522 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -47.78 -58.54 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.798 0.333 . . . . 0.0 110.893 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -62.04 -46.06 90.83 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.173 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 94.3 m -57.06 -36.69 70.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.183 0.516 . . . . 0.0 110.183 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -41.91 92.2 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.363 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.3 tp -56.87 -41.64 78.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.848 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.533 ' CD1' ' OD1' ' A' ' 126' ' ' ASP . 51.7 t80 -60.73 -46.92 88.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.224 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.69 -42.81 89.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.562 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.492 ' O ' ' SD ' ' A' ' 47' ' ' MET . 30.3 mtt -53.98 -60.8 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.454 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 97.7 mt-30 -48.33 -53.17 18.39 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.41 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.6 p -62.04 -41.94 98.64 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.908 0.385 . . . . 0.0 111.271 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.72 -50.53 66.58 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 121.072 -0.585 . . . . 0.0 111.683 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -79.47 -9.56 59.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.908 0.385 . . . . 0.0 110.828 -179.543 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 64.7 tttm -70.64 -45.43 65.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.38 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 88.7 mt -57.7 -47.55 85.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.382 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 51' ' ' SER . 96.7 m-20 -126.37 -94.63 0.46 Allowed 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 2.0 m 159.46 -79.96 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.648 0.592 . . . . 0.0 110.527 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.5 pttt -136.49 94.1 2.96 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.344 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.1 m -101.97 131.84 22.27 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.933 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -41.4 -31.68 1.11 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.564 2.176 . . . . 0.0 112.273 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -84.07 -60.06 2.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.978 0.418 . . . . 0.0 110.449 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' PHE . 60.0 m -58.8 -23.03 59.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.609 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -40.52 -41.74 1.5 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.542 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -65.11 -40.8 95.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.337 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' CYS . 32.3 t80 -63.75 -46.76 83.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.452 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.517 ' O ' ' SD ' ' A' ' 64' ' ' MET . 95.5 mt -63.84 -43.67 95.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.981 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 t -59.22 -48.57 81.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.774 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -66.29 -42.82 87.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.54 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.3 tp -61.66 -43.88 98.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.337 0.589 . . . . 0.0 110.88 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -62.88 -38.25 90.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.312 179.227 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.19 -34.79 78.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.173 0.511 . . . . 0.0 110.404 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.424 ' NE2' HD11 ' A' ' 7' ' ' LEU . 58.6 mt-30 -64.98 -43.07 93.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.7 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.84 -49.55 75.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.587 0.708 . . . . 0.0 111.336 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -65.12 -30.06 70.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.063 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.12 97.12 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.029 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.37 -38.96 92.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.332 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -57.33 -50.88 71.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.404 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -66.3 -40.9 90.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.818 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -50.94 -50.05 58.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.586 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.458 HD13 HD22 ' A' ' 77' ' ' ASN . 15.6 mt -76.48 -46.38 27.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.26 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.13 -90.55 1.21 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -100.49 92.43 5.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.774 0.321 . . . . 0.0 110.722 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 78' ' ' GLU . 54.1 t-20 -128.42 133.95 48.68 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.606 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -63.21 -43.11 99.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.508 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.47 96.32 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.872 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.7 mm -73.25 -44.1 55.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.202 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 35.4 p -74.23 -25.57 59.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.952 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -126.26 113.0 16.38 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.396 0.617 . . . . 0.0 110.458 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.662 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 1.4 pm0 -69.3 -35.2 75.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.334 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.402 HG12 ' H ' ' A' ' 84' ' ' ILE . 5.0 pt -60.23 -40.73 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.284 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.61 -46.26 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.957 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.83 -36.21 92.43 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.299 -1.121 . . . . 0.0 110.299 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.09 -45.17 93.81 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.412 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.7 -36.52 83.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -65.75 -46.94 76.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.466 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.58 -44.07 97.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.516 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -44.58 87.2 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.518 -179.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.576 HD22 ' C ' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -64.33 -40.83 96.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.288 -179.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.497 ' O ' ' SD ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -57.33 -47.67 80.95 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.938 -178.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.03 -37.43 84.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.198 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.13 -43.91 87.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.803 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.3 -44.35 95.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.454 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' A' ' 93' ' ' TYR . 2.8 mpp? -66.26 -42.27 88.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -61.93 -49.31 76.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.498 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.12 -41.08 99.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -53.36 -54.16 40.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.496 -178.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.71 -49.87 69.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.981 0.42 . . . . 0.0 110.771 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -56.04 -41.42 75.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.209 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -63.54 -43.37 97.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.621 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -65.8 -34.21 77.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.053 0.454 . . . . 0.0 110.185 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.78 -41.27 78.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.167 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -66.25 -26.04 67.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.477 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.44 -25.48 67.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.432 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.88 -12.83 57.74 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 109' ' ' ARG . 10.0 ptp180 -98.83 136.28 39.08 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -113.06 140.53 47.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.035 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -141.79 162.55 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.539 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -30.33 70.84 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.188 0.518 . . . . 0.0 110.525 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.595 ' OD1' ' N ' ' A' ' 114' ' ' MET . 38.4 p30 -57.95 -24.67 59.0 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.086 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.595 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 3.3 tpp -65.7 -45.79 81.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.717 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.44 -43.3 98.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -38.98 92.2 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.748 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.1 m -61.92 -46.94 87.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.738 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -61.53 -43.77 98.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -55.87 -41.75 74.88 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.898 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.7 m -62.11 -43.18 99.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.398 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.426 ' O ' HD13 ' A' ' 125' ' ' ILE . . . -55.48 -53.96 49.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.704 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.9 m -58.6 -38.23 77.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.097 0.475 . . . . 0.0 110.616 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.548 ' O ' ' OD2' ' A' ' 126' ' ' ASP . 4.3 tp -61.1 -43.74 98.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.764 0.792 . . . . 0.0 110.183 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.06 -39.18 93.96 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 121.563 0.696 . . . . 0.0 110.467 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 121' ' ' ALA . 1.4 mp -55.39 -47.66 77.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.216 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.572 ' O ' ' OG1' ' A' ' 129' ' ' THR . 0.9 OUTLIER -59.29 -39.69 83.77 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-O 122.474 1.13 . . . . 0.0 109.962 -178.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.62 ' O ' HG22 ' A' ' 130' ' ' VAL . 97.5 t -59.12 -28.26 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.75 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 90.4 mt -82.26 -35.33 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.358 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.572 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 48.7 p -55.95 -27.1 50.92 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.198 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 127' ' ' VAL . 7.7 m -52.41 -33.52 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.373 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -69.01 -35.86 77.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.47 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 101.48 -6.9 55.72 Favored Glycine 0 N--CA 1.464 0.527 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.504 ' O ' HD22 ' A' ' 134' ' ' LEU . 1.0 OUTLIER -103.79 109.16 20.78 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.693 0.282 . . . . 0.0 110.465 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.504 HD22 ' O ' ' A' ' 133' ' ' GLU . 0.6 OUTLIER -127.81 131.45 49.56 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.29 179.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 139' ' ' VAL . 0.0 OUTLIER -96.79 170.67 9.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.344 179.11 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.415 ' N ' ' OG1' ' A' ' 135' ' ' THR . 98.2 m-20 -64.78 -38.21 90.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.804 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 137' ' ' GLU . 0.4 OUTLIER -57.29 -52.66 64.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.967 -178.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -62.05 -39.89 93.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.718 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 135' ' ' THR . 58.8 t -60.09 -45.21 95.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.186 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -63.35 -40.61 97.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -58.35 -48.3 81.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.789 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -63.49 -48.68 76.6 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.95 -44.03 97.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.789 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -66.28 -43.15 87.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.323 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.14 -46.22 88.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -61.24 -48.94 79.17 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.229 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 53.8 m0 -65.38 -49.17 70.33 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.741 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -63.04 -47.49 82.78 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 123.464 0.478 . . . . 0.0 111.257 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -53.43 -57.2 11.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.85 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 85.9 m -63.29 -42.09 99.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.448 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.406 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 85.8 t80 -57.97 -47.64 82.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.705 -178.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.34 -44.36 99.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.657 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -57.94 -47.39 83.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.61 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.457 ' N ' HD22 ' A' ' 154' ' ' ASN . 2.8 m120 -65.21 -38.86 91.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.588 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 90.8 m -62.15 -49.22 76.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.037 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.74 -40.79 98.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.585 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -63.13 -31.82 73.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.706 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 154' ' ' ASN . 2.4 m120 -88.54 2.92 52.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.395 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 77.75 -0.9 69.52 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -91.22 148.82 22.08 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.8 0.333 . . . . 0.0 110.507 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 47.0 p -93.48 143.98 27.51 Favored Pre-proline 0 N--CA 1.448 -0.532 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.459 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.02 162.47 38.95 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.863 2.376 . . . . 0.0 112.263 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.35 179.278 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mtp . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.8 165.16 27.14 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.84 147.05 25.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.485 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mt -112.96 140.53 47.69 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.309 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.408 ' O ' ' NE2' ' A' ' 66' ' ' GLN . . . -60.11 149.57 74.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.593 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.02 151.35 82.14 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 122.706 2.271 . . . . 0.0 111.935 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.658 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.1 mp -96.42 150.59 37.27 Favored Pre-proline 0 N--CA 1.454 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.877 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -49.25 165.38 0.23 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.497 2.131 . . . . 0.0 111.39 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.17 134.81 62.19 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.856 2.371 . . . . 0.0 111.771 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tp -76.61 116.6 58.05 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.828 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.49 154.24 40.07 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.443 2.096 . . . . 0.0 112.157 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.21 -26.11 64.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -66.11 -32.39 73.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.897 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.402 ' C ' ' N ' ' A' ' 16' ' ' SER . 3.2 m-85 -93.11 -7.93 44.13 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.554 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -44.93 -23.85 0.17 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.784 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 14' ' ' PHE . 65.8 p -61.04 -34.81 75.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.512 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' O ' HD21 ' A' ' 21' ' ' LEU . 24.2 pt -105.11 22.51 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.922 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -62.15 -37.3 84.65 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.635 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -68.1 -37.72 81.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.553 ' CD2' HD11 ' A' ' 123' ' ' LEU . 25.8 m80 -55.93 -61.86 2.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.271 0.558 . . . . 0.0 111.264 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.427 ' CD2' ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -58.54 -48.65 80.16 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.262 -179.623 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -54.4 -47.81 72.31 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.274 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 18.5 m -64.01 -45.73 87.64 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.744 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.01 -30.52 71.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -62.18 -47.38 84.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' OE2' ' N ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -81.45 -16.43 52.02 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.763 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.524 ' N ' ' OE2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -84.6 -17.96 37.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.678 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -59.96 -40.72 90.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.754 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -84.5 -8.67 58.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.18 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -99.39 -46.89 5.35 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -158.46 100.71 1.7 Allowed Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.486 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -51.82 -33.19 49.72 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.721 2.281 . . . . 0.0 112.071 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.22 -45.34 98.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.488 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.1 t -62.58 -44.96 99.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.222 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.13 97.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -55.07 -53.45 55.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.968 0.414 . . . . 0.0 110.583 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -68.59 -42.64 77.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.12 0.486 . . . . 0.0 110.93 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.5 t -55.24 -44.32 75.38 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.24 0.543 . . . . 0.0 110.339 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -43.68 98.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.873 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.4 tp -50.8 -46.07 59.57 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.016 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -60.54 -47.25 86.99 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 119.49 -0.884 . . . . 0.0 110.193 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.49 -36.21 63.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.539 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.509 ' O ' ' SD ' ' A' ' 47' ' ' MET . 50.6 mtt -62.63 -63.55 1.19 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.599 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -43.21 -54.52 4.46 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.885 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.3 m -68.49 -42.54 78.5 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.84 0.352 . . . . 0.0 111.423 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -58.48 -54.07 40.73 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 121.226 -0.512 . . . . 0.0 111.966 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.1 OUTLIER -66.58 -29.08 69.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.722 -0.281 . . . . 0.0 110.467 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -58.44 -45.08 89.24 Favored 'General case' 0 C--O 1.231 0.095 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.188 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.9 mt -65.96 -44.33 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.578 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -143.25 110.72 5.81 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.8 m -56.53 -63.72 1.1 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.687 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -156.94 99.64 1.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.592 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.605 HG22 ' H ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER -106.79 157.8 34.32 Favored Pre-proline 0 N--CA 1.465 0.283 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -36.82 -45.31 1.21 Allowed 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.669 2.246 . . . . 0.0 112.44 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 57' ' ' ARG . 24.4 mp0 -86.9 -65.37 1.02 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 111.084 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.605 ' H ' HG22 ' A' ' 53' ' ' THR . 70.8 m -40.8 -22.76 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.795 0.331 . . . . 0.0 110.501 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 55' ' ' GLU . 1.5 tmt_? -51.36 -57.73 8.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.001 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -66.03 -30.54 71.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.631 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -63.59 -48.35 77.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.515 ' O ' ' SD ' ' A' ' 64' ' ' MET . 78.3 mt -65.66 -40.77 92.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.6 m -57.45 -50.69 72.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.933 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -67.86 -39.15 83.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.045 0.45 . . . . 0.0 111.02 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.2 tp -59.97 -46.85 88.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.222 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.594 ' SD ' ' N ' ' A' ' 64' ' ' MET . 0.0 OUTLIER -64.93 -40.32 94.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.915 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -65.17 -36.17 83.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.301 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -59.25 -52.17 66.8 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.571 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -39.52 95.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.214 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.13 -42.13 94.13 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.977 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.37 90.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.953 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.1 mt -61.61 -41.0 96.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.524 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -59.62 -49.7 76.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.381 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -65.6 -38.66 90.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.747 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -52.41 -55.85 18.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.298 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.0 mt -74.68 -44.39 50.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.93 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.43 -101.09 2.65 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -102.07 88.37 3.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.471 0.176 . . . . 0.0 110.788 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.07 139.73 49.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.398 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.416 ' OE2' ' NE2' ' A' ' 82' ' ' GLN . 2.2 tp10 -67.23 -36.56 81.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.195 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.05 1.04 25.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.667 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mm -120.93 -21.21 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.728 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 p -99.61 -28.51 13.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.766 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.416 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 74.5 mt-30 -112.14 118.58 35.76 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.951 0.405 . . . . 0.0 110.398 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.89 -37.69 82.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.061 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.417 HG13 ' H ' ' A' ' 85' ' ' VAL . 1.2 pt -62.5 -44.88 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.877 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.417 ' H ' HG13 ' A' ' 84' ' ' ILE . 59.5 t -63.14 -43.94 99.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.94 -42.59 99.76 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.553 ' SG ' ' CD2' ' A' ' 131' ' ' PHE . 19.7 m -61.54 -37.67 84.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.866 0.365 . . . . 0.0 110.14 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.57 89.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.574 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -61.27 -45.34 94.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.104 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.41 -42.87 98.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.58 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.04 -46.81 78.75 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.445 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -64.05 -40.11 95.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.685 -179.606 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -60.84 -45.82 92.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.793 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.6 85.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.891 0.377 . . . . 0.0 110.177 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.89 -42.35 97.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.01 -46.83 88.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.227 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -66.34 -36.82 83.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.05 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -58.86 -48.46 81.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.052 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.7 mt -68.68 -37.13 79.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.308 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -55.95 -50.76 69.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.047 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.415 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -63.31 -45.47 91.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.357 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -61.0 -40.37 93.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.449 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -61.03 -40.41 93.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.259 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -61.64 -40.39 94.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.467 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.477 ' OD1' ' CE ' ' A' ' 114' ' ' MET . 1.9 m-20 -62.86 -43.59 98.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -62.54 -40.56 97.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.19 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.83 -19.81 66.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.16 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.84 30.86 25.25 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.448 HH11 ' HG2' ' A' ' 109' ' ' ARG . 29.9 mtt-85 -122.8 132.03 54.03 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -127.11 133.83 50.33 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.258 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -150.84 172.64 15.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.616 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -61.0 -37.41 82.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.649 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.51 -35.58 65.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.212 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.477 ' CE ' ' OD1' ' A' ' 105' ' ' ASP . 1.6 ttp -61.97 -40.61 96.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.123 0.487 . . . . 0.0 110.498 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 11.2 mm -66.05 -43.71 92.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.416 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -66.63 -37.48 84.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.371 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.1 t -57.87 -44.73 86.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.942 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.474 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 11.5 m-85 -63.42 -45.28 91.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.41 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -62.51 -42.57 99.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.274 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.4 m -61.29 -45.55 94.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.647 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.29 78.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.5 t -62.75 -41.53 99.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.522 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.553 HD11 ' CD2' ' A' ' 20' ' ' HIS . 48.5 tp -60.88 -44.67 96.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.349 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.78 -43.15 99.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.944 0.878 . . . . 0.0 110.331 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 67.7 mt -55.84 -41.87 68.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.57 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -59.52 -43.44 93.42 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.674 0.75 . . . . 0.0 110.015 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.691 ' O ' HG22 ' A' ' 130' ' ' VAL . 91.9 t -54.64 -28.73 19.8 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.255 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 55.0 mt -78.16 -33.46 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 121.219 0.533 . . . . 0.0 110.4 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.502 ' HA ' HD23 ' A' ' 134' ' ' LEU . 72.4 p -62.84 -26.13 68.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.679 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 127' ' ' VAL . 6.2 m -51.7 -39.89 25.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.553 ' CD2' ' SG ' ' A' ' 87' ' ' CYS . 97.2 m-85 -64.01 -39.98 95.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.852 0.358 . . . . 0.0 110.639 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.86 -21.16 18.95 Favored Glycine 0 N--CA 1.465 0.58 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -89.8 113.21 24.73 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.507 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -135.99 124.45 23.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.967 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.675 ' CG2' HD22 ' A' ' 138' ' ' ASN . 1.3 t -82.9 159.21 22.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.357 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -62.08 -35.86 79.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.669 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -53.29 -54.0 42.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.122 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.675 HD22 ' CG2' ' A' ' 135' ' ' THR . 52.3 m-80 -61.78 -41.16 97.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.737 0.304 . . . . 0.0 110.837 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.406 ' CG1' ' NZ ' ' A' ' 143' ' ' LYS . 92.9 t -60.63 -46.6 95.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.762 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -62.63 -44.28 96.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.813 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -67.96 -31.72 71.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.407 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -62.84 -49.3 75.45 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.906 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.406 ' NZ ' ' CG1' ' A' ' 139' ' ' VAL . 64.4 mttp -63.52 -40.9 98.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.484 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.19 -46.5 88.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.18 90.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.686 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -60.87 -48.61 81.01 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.409 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -70.54 -41.28 72.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.079 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -59.48 -40.86 88.33 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.608 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.474 ' HB2' ' HB3' ' A' ' 118' ' ' PHE . . . -69.51 -48.24 61.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.043 0.449 . . . . 0.0 110.8 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 7.4 m -64.76 -42.07 95.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.808 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -58.53 -49.77 76.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.668 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 93.6 mt -66.16 -44.2 91.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.826 0.346 . . . . 0.0 110.789 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -57.09 -48.25 79.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.702 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.05 -43.03 93.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.87 0.367 . . . . 0.0 110.799 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 160' ' ' GLU . 0.0 OUTLIER -56.23 -48.41 76.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.943 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 44.3 mt -64.11 -35.8 81.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.368 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -61.77 -32.23 72.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.624 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -92.64 9.45 34.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 61.02 39.37 96.98 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.463 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 56.6 mm-40 -114.25 152.73 30.85 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.774 0.321 . . . . 0.0 110.458 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 27.8 m -84.25 123.27 75.33 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.38 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.21 160.35 42.54 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.583 2.188 . . . . 0.0 112.166 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.48 179.742 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.46 132.11 53.01 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.253 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.97 168.53 9.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.182 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.7 mt -106.44 145.4 31.81 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.32 154.51 88.1 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.56 144.91 86.27 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.97 2.447 . . . . 0.0 111.43 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.681 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.4 mm? -91.34 146.27 33.07 Favored Pre-proline 0 C--N 1.328 -0.354 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.201 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -55.07 172.5 0.37 Allowed 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.198 1.932 . . . . 0.0 112.358 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.09 137.46 53.91 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.37 2.047 . . . . 0.0 111.208 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.78 115.97 61.47 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.981 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.22 163.23 25.25 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.347 2.032 . . . . 0.0 112.152 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.5 -26.5 67.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.201 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -57.34 -38.07 73.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.714 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -105.91 42.19 1.29 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.007 0.432 . . . . 0.0 111.031 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -78.73 -28.97 45.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.345 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.5 m -69.55 -41.94 75.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.351 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.4 pt -90.21 10.79 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.619 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -58.76 -49.29 78.18 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.456 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -67.55 -33.63 75.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.958 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.48 ' CD2' ' CD1' ' A' ' 41' ' ' TYR . 45.6 m80 -59.3 -64.14 1.05 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.662 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.86 -39.01 90.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.665 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -58.83 -44.64 90.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.154 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.6 m -60.71 -43.19 98.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.296 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.17 89.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.565 ' CD ' HH22 ' A' ' 39' ' ' ARG . 8.0 mm100 -53.62 -41.65 66.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.975 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -71.26 -46.86 60.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.776 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' ASP . 33.5 m80 -65.27 -17.62 64.65 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.836 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -60.19 -38.56 83.63 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.351 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -74.35 -43.77 55.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -78.05 -52.09 9.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.251 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 27' ' ' HIS . 1.1 m-20 -135.17 110.38 10.73 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.309 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.54 -33.21 8.86 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.928 1.752 . . . . 0.0 112.016 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.87 -45.5 96.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.444 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.09 -43.91 97.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.515 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.77 75.33 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.579 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -52.72 -50.91 62.47 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.829 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -65.65 -43.75 88.47 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.073 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 98.4 m -59.94 -39.91 87.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.703 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.565 HH22 ' CD ' ' A' ' 25' ' ' GLN . 91.6 mtt-85 -64.15 -38.68 91.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.396 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.85 -43.75 90.85 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.48 ' CD1' ' CD2' ' A' ' 20' ' ' HIS . 41.2 t80 -60.77 -45.46 94.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.88 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.702 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.509 ' O ' ' SD ' ' A' ' 47' ' ' MET . 47.3 mtt -60.62 -62.03 2.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.522 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -44.58 -49.15 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.529 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -66.54 -34.92 78.99 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.117 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.78 -60.77 6.54 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.783 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -60.71 -35.61 76.74 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.775 0.322 . . . . 0.0 110.274 -179.682 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -59.65 -47.05 87.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.377 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.8 mt -70.03 -57.35 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.888 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -120.46 121.59 38.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.075 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.8 m -58.52 -94.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.296 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -142.63 106.62 4.71 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.126 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 57' ' ' ARG . 7.0 m -97.85 129.75 30.5 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -39.8 -31.02 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.032 1.821 . . . . 0.0 112.616 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -84.52 -41.99 15.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 59' ' ' PHE . 74.7 m -79.53 -21.56 45.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 53' ' ' THR . 15.9 ttp180 -41.62 -46.3 3.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.049 0.452 . . . . 0.0 110.541 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.3 -39.35 92.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.179 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' CYS . 27.8 t80 -61.23 -49.07 78.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.793 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.88 -41.99 99.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.603 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.0 m -60.77 -48.15 83.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.51 -35.58 81.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.988 0.423 . . . . 0.0 110.647 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.81 -47.98 81.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.58 0.705 . . . . 0.0 110.954 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.518 ' SD ' ' N ' ' A' ' 64' ' ' MET . 0.0 OUTLIER -64.37 -32.26 73.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.664 178.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.28 -39.96 92.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.432 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.607 ' NE2' HD21 ' A' ' 7' ' ' LEU . 72.6 mt-30 -65.36 -36.67 84.7 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.244 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 tt -57.96 -51.92 67.65 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.982 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.42 -33.41 75.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.266 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.74 78.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.422 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.14 -41.44 97.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.626 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -59.03 -46.24 88.7 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.588 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.81 -38.61 86.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.321 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -52.56 -56.02 18.14 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.523 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.8 mt -77.36 -41.88 38.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.977 0.418 . . . . 0.0 110.695 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.69 -103.16 1.14 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -83.5 83.89 7.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.84 0.352 . . . . 0.0 110.608 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.97 132.84 56.1 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.805 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.07 -41.65 97.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.113 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.92 -40.12 91.15 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.036 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.6 mm -69.69 -43.94 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 0.0 110.566 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.8 p -73.1 -47.72 41.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.062 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -98.42 121.95 41.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.386 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.491 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 5.4 pm0 -69.94 -36.86 75.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.943 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.469 ' CG1' ' N ' ' A' ' 85' ' ' VAL . 6.2 pt -60.06 -44.82 95.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.273 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.469 ' N ' ' CG1' ' A' ' 84' ' ' ILE . 77.6 t -63.15 -46.38 96.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.014 0.435 . . . . 0.0 109.907 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.41 -40.66 97.96 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 83' ' ' GLU . 100.0 m -63.12 -40.28 97.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.284 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.01 96.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.398 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -60.14 -47.52 85.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.888 0.375 . . . . 0.0 110.6 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.462 ' HB3' HD12 ' A' ' 124' ' ' LEU . 9.8 mp -63.41 -42.24 98.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.362 0.601 . . . . 0.0 110.511 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -63.69 -39.77 95.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.677 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.14 -39.12 85.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.137 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -45.3 94.78 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.322 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.47 -44.83 72.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.387 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.36 -38.56 91.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.762 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -55.33 -50.02 70.7 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.401 -0.52 . . . . 0.0 109.855 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -69.62 -41.22 75.95 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.855 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.526 ' CD2' ' NE2' ' A' ' 141' ' ' HIS . 33.0 t80 -61.17 -48.25 82.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.574 -178.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.1 mt -65.21 -41.84 94.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.58 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -61.14 -46.32 91.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.474 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.449 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -65.2 -50.42 65.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.262 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -58.02 -41.11 82.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.586 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -61.59 -41.15 97.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.386 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.33 -37.79 86.18 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.392 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.97 -43.46 95.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.71 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -63.79 -36.07 82.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.399 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.62 -15.43 61.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.267 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.76 19.58 63.25 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.45 ' CD ' ' NE2' ' A' ' 111' ' ' HIS . 39.0 ttm-85 -116.23 125.19 51.89 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.421 ' O ' ' ND1' ' A' ' 111' ' ' HIS . 17.1 m-85 -108.53 134.89 50.69 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.45 ' NE2' ' CD ' ' A' ' 109' ' ' ARG . 41.0 m-70 -146.74 151.07 36.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.462 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -55.45 -28.95 57.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.522 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -56.95 -33.1 66.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.152 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 89.3 mtp -63.72 -41.64 98.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.535 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.8 mm -62.44 -44.84 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.588 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -63.14 -39.72 95.48 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.4 p -58.87 -45.94 88.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.449 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 47.8 m-85 -63.8 -42.79 97.62 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -57.27 -45.49 83.99 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.247 0.546 . . . . 0.0 109.765 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 15.4 m -63.2 -42.0 99.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.375 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.49 -48.33 77.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.581 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.7 p -58.28 -39.24 78.75 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.213 0.53 . . . . 0.0 110.689 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.35 -41.48 98.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.134 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -57.97 -42.63 85.42 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.882 -179.404 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.541 ' O ' HG23 ' A' ' 129' ' ' THR . 45.5 mm -58.4 -47.58 87.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.113 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.476 ' O ' ' OG1' ' A' ' 129' ' ' THR . 1.1 m-20 -52.5 -47.83 66.35 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-O 121.434 0.635 . . . . 0.0 110.813 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.615 ' O ' HG22 ' A' ' 130' ' ' VAL . 29.7 t -60.5 -29.14 43.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.083 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.4 mt -81.67 -29.54 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.952 0.406 . . . . 0.0 110.466 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 125' ' ' ILE . 65.1 p -65.04 -27.57 68.89 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.645 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 127' ' ' VAL . 8.5 m -51.4 -34.42 15.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 119.704 -0.798 . . . . 0.0 110.496 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.468 ' CZ ' ' SG ' ' A' ' 87' ' ' CYS . 94.2 m-85 -68.36 -36.03 78.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.941 0.401 . . . . 0.0 110.863 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 98.49 -11.98 63.17 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -83.34 93.07 7.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.46 132.32 54.29 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.417 ' O ' HG23 ' A' ' 139' ' ' VAL . 3.7 p -103.53 171.31 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.193 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -62.21 -42.91 99.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.015 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.31 -45.89 91.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.798 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -63.85 -39.9 95.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.619 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 135' ' ' THR . 40.6 t -61.13 -46.04 97.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.203 0.525 . . . . 0.0 109.71 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -68.87 -26.13 64.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.297 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.526 ' NE2' ' CD2' ' A' ' 98' ' ' PHE . 36.0 t-80 -61.68 -49.42 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.473 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 143' ' ' LYS . 13.4 ptm180 -68.48 -41.18 80.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.504 ' NZ ' ' CE3' ' A' ' 147' ' ' TRP . 0.0 OUTLIER -64.39 -50.06 69.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.442 -178.792 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -60.11 -48.27 82.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.25 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.57 -41.76 90.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.319 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -56.14 -57.3 12.76 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.273 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . 0.504 ' CE3' ' NZ ' ' A' ' 143' ' ' LYS . 45.2 m0 -62.72 -51.42 67.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.351 -178.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -57.41 -44.07 84.25 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.423 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -53.77 -53.14 56.5 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.654 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 36.8 m -69.26 -32.17 71.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.207 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -58.91 -53.08 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.929 -178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.86 -42.64 86.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -56.63 -48.35 77.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.069 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -65.67 -42.34 91.43 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.178 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 156' ' ' LEU . 1.6 p -56.41 -46.48 80.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 111.011 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.604 ' N ' ' SG ' ' A' ' 155' ' ' CYS . 12.9 mt -64.65 -41.23 96.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.779 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -59.9 -38.34 82.02 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -78.63 -17.71 55.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.698 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 84.28 32.12 23.59 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -117.87 148.49 42.08 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.716 0.294 . . . . 0.0 110.71 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 78.7 m -78.85 123.1 85.31 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.72 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.49 160.58 44.16 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.01 1.807 . . . . 0.0 112.492 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.194 179.584 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.523 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.2 mpt? . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.92 138.71 15.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.508 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.28 135.78 19.36 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.4 mt -82.88 152.07 25.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.437 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.26 162.43 73.78 Favored Pre-proline 0 C--N 1.326 -0.43 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.862 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.63 147.28 81.51 Favored 'Trans proline' 0 N--CA 1.498 1.737 0 C-N-CA 122.986 2.457 . . . . 0.0 112.087 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.843 HD22 ' N ' ' A' ' 7' ' ' LEU . 1.4 mm? -101.63 151.18 37.82 Favored Pre-proline 0 C--O 1.235 0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.054 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.28 162.95 0.71 Allowed 'Trans proline' 0 C--N 1.316 -1.15 0 C-N-CA 122.248 1.965 . . . . 0.0 111.569 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.07 126.59 19.27 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 123.035 2.49 . . . . 0.0 111.655 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 tp -63.4 112.94 8.05 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.384 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -62.97 150.93 87.12 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 122.672 2.248 . . . . 0.0 111.985 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.84 -25.33 64.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -63.21 -37.93 89.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.492 ' HB3' HD11 ' A' ' 17' ' ' ILE . 39.4 m-85 -101.68 25.77 8.14 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.878 0.371 . . . . 0.0 110.669 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -65.6 -40.31 92.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.681 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -55.81 -35.81 66.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.595 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.492 HD11 ' HB3' ' A' ' 14' ' ' PHE . 46.0 pt -94.97 21.38 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.171 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -63.94 -43.34 96.15 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.344 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -66.46 -36.68 83.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.715 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -56.47 -65.3 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.038 0.446 . . . . 0.0 111.136 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -35.15 73.11 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.532 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -60.3 -45.47 93.24 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.768 0.794 . . . . 0.0 110.076 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.647 HG22 ' ND1' ' A' ' 27' ' ' HIS . 11.6 m -62.18 -42.9 99.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.786 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -58.9 -40.91 85.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.323 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.819 HE21 HH22 ' A' ' 39' ' ' ARG . 72.9 mm-40 -56.44 -44.3 80.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.996 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -77.74 -35.53 51.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.417 0.627 . . . . 0.0 110.618 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.647 ' ND1' HG22 ' A' ' 23' ' ' THR . 2.4 m80 -75.54 -16.96 60.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.723 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ALA . 10.2 m-20 -59.31 -36.13 75.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.951 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -95.84 -34.58 11.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.774 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -76.03 -44.79 37.6 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.979 0.418 . . . . 0.0 110.968 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -147.77 93.08 4.6 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.345 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.59 -43.24 59.4 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 122.735 2.29 . . . . 0.0 112.547 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.1 -46.04 97.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.481 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 73.5 t -59.44 -45.13 93.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.171 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.23 93.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.703 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -52.02 -57.24 10.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.935 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -62.72 -42.05 99.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 96.6 m -58.91 -40.9 85.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.033 0.444 . . . . 0.0 110.319 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.819 HH22 HE21 ' A' ' 25' ' ' GLN . 26.2 mmt180 -63.24 -41.0 99.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.44 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.2 tp -57.53 -42.88 83.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.181 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.3 -45.93 89.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.225 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.3 87.27 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.621 0.576 . . . . 0.0 110.874 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.2 mtt -60.34 -49.15 78.73 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.448 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -55.74 -58.46 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.5 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.8 t -61.49 -33.0 73.04 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.706 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.57 -63.78 4.69 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 22.3 ptp -60.52 -25.87 66.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 110.426 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -64.42 -49.57 71.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.448 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.39 -45.71 95.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.719 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.446 ' CG ' ' H ' ' A' ' 51' ' ' SER . 47.2 t0 -121.7 -122.76 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.258 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.446 ' H ' ' CG ' ' A' ' 50' ' ' ASP . 39.7 t -176.78 -101.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.513 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -136.14 98.03 3.76 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.7 m -98.19 131.86 25.57 Favored Pre-proline 0 CA--C 1.537 0.444 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.078 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -40.27 -32.06 0.65 Allowed 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 122.286 1.991 . . . . 0.0 112.36 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -86.27 -61.15 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.98 0.419 . . . . 0.0 110.429 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' PHE . 35.9 m -59.9 -27.14 66.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.641 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -41.68 -41.35 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.485 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -63.49 -42.82 98.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.273 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 56' ' ' CYS . 68.8 t80 -62.37 -48.68 78.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.401 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.475 ' O ' ' SD ' ' A' ' 64' ' ' MET . 27.7 mt -63.94 -40.85 97.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.5 m -59.92 -51.23 70.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.043 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.16 -37.91 89.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.37 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.628 ' CD1' HH11 ' A' ' 39' ' ' ARG . 29.4 tp -59.76 -48.34 82.07 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-O 121.636 0.731 . . . . 0.0 110.972 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.57 ' SD ' ' N ' ' A' ' 64' ' ' MET . 0.0 OUTLIER -61.8 -37.87 86.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.085 -179.666 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -63.92 -38.66 91.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.079 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.708 HE22 HD21 ' A' ' 7' ' ' LEU . 45.3 mt-30 -58.54 -47.22 84.92 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.186 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.19 -43.2 99.26 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.719 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -63.79 -34.18 77.33 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.21 90.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.512 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.98 -40.48 95.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.587 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -61.08 -47.73 84.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.169 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -67.64 -42.82 81.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.693 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -58.63 5.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.866 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.577 ' CB ' HD21 ' A' ' 77' ' ' ASN . 28.4 mt -73.17 -42.02 63.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.689 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.16 -99.4 2.34 Favored Glycine 0 N--CA 1.46 0.255 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -130.34 87.25 2.48 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.966 0.413 . . . . 0.0 110.817 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.577 HD21 ' CB ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -97.26 156.72 16.3 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.786 -179.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.522 ' OE2' ' NE2' ' A' ' 82' ' ' GLN . 5.6 tp10 -53.0 -37.22 61.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.834 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.93 -37.75 61.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.891 0.377 . . . . 0.0 111.312 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 80' ' ' ILE . 44.1 mm -85.05 -5.42 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.76 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 77' ' ' ASN . 64.3 p -116.97 -8.31 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.961 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.522 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 43.1 mt-30 -139.05 117.09 11.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.047 0.451 . . . . 0.0 110.077 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -67.06 -34.92 78.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.925 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.413 HG13 ' H ' ' A' ' 85' ' ' VAL . 1.0 OUTLIER -60.31 -40.74 84.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.465 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.413 ' H ' HG13 ' A' ' 84' ' ' ILE . 72.3 t -68.08 -44.88 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.815 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.92 -44.3 92.55 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 88' ' ' ALA . 4.5 p -65.09 -41.16 95.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.95 0.405 . . . . 0.0 110.56 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.537 ' N ' ' SG ' ' A' ' 87' ' ' CYS . . . -63.58 -36.84 85.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.743 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.419 ' NE2' ' CZ ' ' A' ' 93' ' ' TYR . 33.6 t60 -63.33 -49.27 74.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.97 -42.71 97.18 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.775 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -56.19 -45.2 79.87 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.295 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.455 HD22 ' C ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -64.31 -40.64 96.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.419 ' CZ ' ' NE2' ' A' ' 89' ' ' HIS . 2.6 m-85 -59.7 -46.04 90.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.712 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.96 -46.22 85.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.966 0.412 . . . . 0.0 110.218 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.11 -41.38 98.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.026 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -59.94 -47.33 86.24 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.428 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 49.2 mtm -68.67 -39.83 80.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.705 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -59.54 -46.85 87.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.55 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.62 -39.95 95.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.262 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -55.32 -44.42 75.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.926 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.41 84.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.554 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.33 -38.59 84.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.434 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.46 HD22 ' N ' ' A' ' 103' ' ' ASN . 2.5 m120 -62.12 -41.3 98.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.244 0.545 . . . . 0.0 110.232 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -70.83 -23.82 62.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.946 0.403 . . . . 0.0 110.175 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -74.13 -52.71 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.337 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -67.04 -23.44 65.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.503 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.29 -14.14 61.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.591 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 86.12 -21.69 15.31 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -82.96 142.41 31.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 0.0 110.316 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -126.4 138.72 53.57 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.278 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -145.86 156.58 43.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.405 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -59.66 -18.32 41.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.418 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -62.34 -37.22 84.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.406 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 55.4 mtp -58.33 -42.96 87.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.981 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 33.7 mm -62.45 -48.64 87.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.071 0.462 . . . . 0.0 110.345 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -65.64 -35.97 82.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.233 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.2 m -60.15 -45.89 91.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.761 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -63.59 -41.4 98.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.48 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -59.39 -44.26 92.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.954 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.3 m -60.31 -43.7 96.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.237 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.425 ' O ' HD13 ' A' ' 125' ' ' ILE . . . -54.26 -49.44 69.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.263 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.3 t -60.31 -40.47 90.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.425 0.631 . . . . 0.0 110.417 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 tp -58.95 -43.83 91.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.127 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 124' ' ' LEU . 2.8 tp -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.959 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.744 ' O ' HG23 ' A' ' 129' ' ' THR . 1.4 mp -52.47 -43.89 42.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.552 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.421 ' O ' ' OG1' ' A' ' 129' ' ' THR . 98.5 m-20 -59.4 -48.64 80.85 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-O 121.762 0.791 . . . . 0.0 109.979 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.711 ' O ' HG22 ' A' ' 130' ' ' VAL . 40.8 t -60.85 -24.16 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.136 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 95.5 mt -84.28 -31.76 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.52 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 1.057 HG22 HD21 ' A' ' 134' ' ' LEU . 71.1 p -64.72 -32.39 74.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 -178.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 127' ' ' VAL . 11.9 m -54.54 -29.23 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.596 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -62.6 -41.14 98.79 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.806 0.336 . . . . 0.0 110.351 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.74 0.99 25.87 Favored Glycine 0 N--CA 1.468 0.797 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.455 ' O ' HD22 ' A' ' 134' ' ' LEU . 11.8 pt-20 -114.5 125.89 54.33 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.041 0.448 . . . . 0.0 110.619 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 1.057 HD21 HG22 ' A' ' 129' ' ' THR . 0.5 OUTLIER -126.88 111.42 14.14 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.135 0.493 . . . . 0.0 110.219 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.606 HG23 ' H ' ' A' ' 138' ' ' ASN . 9.2 t -89.04 168.13 12.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.239 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -64.06 -42.3 97.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.737 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 56.2 mp0 -56.02 -43.15 77.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.028 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.606 ' H ' HG23 ' A' ' 135' ' ' THR . 92.7 m-20 -64.57 -45.01 88.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.802 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 89.9 t -65.45 -43.96 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.72 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -61.96 -44.31 97.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.948 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.415 ' O ' ' CB ' ' A' ' 145' ' ' ALA . 45.7 m170 -65.91 -36.29 82.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.156 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 54.0 ttt85 -56.85 -62.04 2.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.824 0.345 . . . . 0.0 110.703 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 144' ' ' TYR . 16.5 pttp -65.31 -43.65 90.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.451 ' N ' ' CG ' ' A' ' 143' ' ' LYS . 70.5 t80 -62.15 -45.25 94.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.379 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 141' ' ' HIS . . . -63.39 -48.67 76.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.422 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -56.73 -47.39 80.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.186 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -66.3 -46.93 75.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.662 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -60.94 -42.91 99.1 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.62 -55.52 32.91 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.718 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 8.9 m -69.1 -41.17 77.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.165 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.495 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 85.3 t80 -58.65 -47.58 83.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 81.2 mt -63.43 -43.48 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.959 -0.297 . . . . 0.0 110.596 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -58.99 -48.49 81.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.866 0.365 . . . . 0.0 110.545 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -66.39 -38.57 87.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.706 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 96.9 m -60.51 -42.87 97.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.68 -40.86 92.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.711 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -58.96 -44.03 91.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.437 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -78.77 -3.16 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.48 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 79.1 8.16 88.01 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -81.59 145.23 30.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 110.713 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.8 m -88.84 118.02 68.87 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.519 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -53.35 148.39 33.27 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.343 2.028 . . . . 0.0 112.394 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.102 179.856 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.449 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.12 106.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.423 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.81 142.32 13.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.441 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.1 mt -78.76 146.2 33.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.114 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.34 158.4 69.25 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.833 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' C ' HD22 ' A' ' 7' ' ' LEU . 33.0 Cg_exo -60.88 151.24 78.88 Favored 'Trans proline' 0 N--CA 1.504 2.141 0 C-N-CA 122.291 1.994 . . . . 0.0 112.138 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.84 HD22 ' N ' ' A' ' 7' ' ' LEU . 1.3 mm? -105.95 144.3 28.63 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.049 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.5 165.08 32.99 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.369 2.046 . . . . 0.0 112.121 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.15 126.6 8.09 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.076 1.851 . . . . 0.0 111.388 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 tp -61.08 117.13 23.01 Favored Pre-proline 0 CA--C 1.543 0.7 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.947 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -54.9 156.53 15.17 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 121.997 1.798 . . . . 0.0 112.125 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.45 91.01 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.066 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.411 ' HG2' ' H ' ' A' ' 13' ' ' GLN . 3.5 pt20 -71.56 -20.06 62.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.964 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.772 ' CD2' HD11 ' A' ' 17' ' ' ILE . 3.2 m-30 -92.47 8.3 39.3 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.069 0.461 . . . . 0.0 110.433 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -61.53 -37.22 82.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.347 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 m -57.63 -34.14 68.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.879 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.772 HD11 ' CD2' ' A' ' 14' ' ' PHE . 42.2 pt -96.02 18.46 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.048 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -61.97 -45.19 94.72 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.275 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -69.88 -37.66 76.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.883 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.446 ' CD2' ' CD1' ' A' ' 41' ' ' TYR . 56.8 m80 -53.87 -61.7 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 111.342 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.57 -40.12 92.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -59.88 -42.43 93.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.053 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.6 m -62.15 -44.26 97.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.16 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.36 96.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.465 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -57.9 -45.33 86.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.429 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -70.85 -44.76 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.753 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.624 ' CE1' HH21 ' A' ' 30' ' ' ARG . 23.0 m80 -64.22 -34.89 79.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.178 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 41.1 t0 -46.69 -31.29 2.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.395 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -84.39 -19.43 33.55 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.317 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.624 HH21 ' CE1' ' A' ' 27' ' ' HIS . 83.8 mtm180 -103.08 -52.22 3.09 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.775 0.321 . . . . 0.0 110.918 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -139.95 92.32 9.88 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.491 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.88 -36.13 62.4 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 122.664 2.243 . . . . 0.0 112.529 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.08 -45.05 96.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.59 -43.88 98.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.989 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -43.42 95.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.621 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -55.82 -50.24 71.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 110.287 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -63.78 -42.96 97.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.451 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.8 m -61.66 -39.92 93.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.196 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' A' ' 66' ' ' GLN . 85.9 mtt-85 -62.5 -37.17 84.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.315 179.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.4 -47.58 85.45 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.341 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.446 ' CD1' ' CD2' ' A' ' 20' ' ' HIS . 55.4 t80 -61.59 -42.97 99.63 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.84 -50.89 62.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.492 ' HE3' HD13 ' A' ' 67' ' ' LEU . 38.8 mtt -63.01 -45.5 92.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.171 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.437 HE22 ' HB ' ' A' ' 130' ' ' VAL . 1.6 mt-30 -51.69 -51.11 58.53 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.04 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.6 m -71.42 -42.78 67.85 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.709 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.15 -49.29 76.24 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.422 ' SD ' ' HA ' ' A' ' 44' ' ' GLN . 5.2 ptm -67.51 -29.27 68.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 4.5 tptp -59.27 -49.99 75.73 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.007 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.16 -48.41 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.547 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' CG ' ' OG1' ' A' ' 53' ' ' THR . 15.7 t0 -145.5 100.11 3.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.88 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.5 m -47.85 -81.0 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.76 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -115.23 104.76 12.15 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.42 ' OG1' ' CG ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -107.36 133.39 20.38 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -42.28 -42.23 7.55 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.06 1.84 . . . . 0.0 112.765 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -85.16 -53.26 5.37 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.741 0.305 . . . . 0.0 111.418 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.638 ' SG ' ' CZ ' ' A' ' 14' ' ' PHE . 4.4 t -58.61 -21.74 54.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.046 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -49.79 -42.59 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.2 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -62.28 -44.14 97.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.236 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.44 -47.41 84.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.187 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.53 -41.77 98.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.559 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.5 m -55.77 -61.37 2.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.871 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -63.37 -43.81 96.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.057 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.9 tp -56.88 -48.01 79.16 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.668 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.03 -38.62 89.38 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.467 -0.493 . . . . 0.0 109.883 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.38 -37.85 82.08 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.942 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.535 HE22 HD21 ' A' ' 7' ' ' LEU . 70.0 mt-30 -63.74 -37.85 88.9 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.283 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.492 HD13 ' HE3' ' A' ' 43' ' ' MET . 11.2 tp -60.02 -48.62 80.94 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.904 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.7 -32.71 73.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.126 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.33 96.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.023 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.77 -41.92 97.88 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.378 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -61.63 -47.19 86.55 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.229 -0.588 . . . . 0.0 109.64 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -69.26 -40.22 77.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -56.57 -51.81 67.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.4 mt -70.76 -41.35 71.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.53 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.03 -99.54 0.51 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -87.15 85.4 7.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.926 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.83 129.7 53.66 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.753 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -66.73 -39.71 88.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.46 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.03 -39.66 83.06 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.993 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.7 mm -69.45 -45.16 79.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.852 0.358 . . . . 0.0 110.76 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.7 p -69.64 -47.18 64.27 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.067 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -96.09 117.63 31.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.421 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.665 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 3.5 pm0 -69.57 -37.34 76.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.977 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.5 pt -62.33 -42.55 95.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.485 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.9 t -64.05 -46.52 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.97 -38.64 95.72 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.7 t -64.1 -43.31 95.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.332 . . . . 0.0 110.316 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.74 90.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.319 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.567 ' NE2' ' CE1' ' A' ' 93' ' ' TYR . 57.8 t60 -61.87 -44.0 97.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.389 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.73 -42.85 97.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.4 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -58.59 -44.66 89.93 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.14 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.94 -39.21 93.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.744 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.567 ' CE1' ' NE2' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -58.27 -46.25 86.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.335 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.41 93.56 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.654 -0.419 . . . . 0.0 109.871 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.46 -42.73 98.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.395 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -62.44 -45.91 90.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.863 0.364 . . . . 0.0 110.582 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 48.7 mtm -66.94 -39.02 87.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.846 0.355 . . . . 0.0 110.549 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -60.08 -46.47 89.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.61 -40.76 97.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.346 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -58.23 -44.18 88.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.931 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.423 ' HB1' ' CZ ' ' A' ' 118' ' ' PHE . . . -60.97 -48.02 83.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.549 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.47 -40.81 97.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.922 0.392 . . . . 0.0 110.526 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -62.72 -43.4 98.89 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.194 0.521 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 5.2 tm-20 -62.99 -33.97 76.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.897 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -61.2 -44.7 96.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.781 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -64.98 -24.9 67.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.244 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 104' ' ' GLU . . . -63.09 -25.41 68.35 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.445 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.75 -24.08 19.6 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -83.04 139.36 33.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.022 0.439 . . . . 0.0 110.204 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.54 135.27 54.85 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.4 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.444 ' ND1' ' N ' ' A' ' 112' ' ' LYS . 41.6 t-80 -147.53 162.36 39.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.092 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.444 ' N ' ' ND1' ' A' ' 111' ' ' HIS . 64.2 mmtt -56.89 -17.82 10.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -61.92 -36.98 82.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.453 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 38.5 mmm -60.36 -44.84 95.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 40.9 mm -62.37 -44.07 98.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.913 0.387 . . . . 0.0 110.204 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -63.93 -41.82 97.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.552 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.5 p -59.29 -46.36 88.77 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.866 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.423 ' CZ ' ' HB1' ' A' ' 101' ' ' ALA . 43.5 m-85 -64.66 -43.0 95.0 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.836 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -63.9 -42.12 97.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.435 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.4 m -59.79 -43.88 94.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.605 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.69 -48.89 79.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.742 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 93.9 p -58.34 -37.5 75.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.039 0.447 . . . . 0.0 110.913 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 123' ' ' LEU . 71.0 mt -63.84 -43.78 95.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.481 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.88 -36.27 83.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.675 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 129' ' ' THR . 5.0 mm -59.24 -44.73 92.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.67 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.44 -42.89 97.03 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 121.454 0.645 . . . . 0.0 110.027 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.605 ' O ' HG22 ' A' ' 130' ' ' VAL . 73.1 t -57.61 -28.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.055 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 97.6 mt -81.1 -34.39 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.8 0.333 . . . . 0.0 110.542 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.599 HG22 HD11 ' A' ' 134' ' ' LEU . 73.8 p -62.28 -26.02 68.17 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.78 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 127' ' ' VAL . 4.3 m -52.53 -31.89 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.771 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -63.91 -27.42 69.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.619 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.61 -19.12 54.88 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 1.1 mp0 -95.79 122.06 38.17 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.881 0.372 . . . . 0.0 110.35 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.599 HD11 HG22 ' A' ' 129' ' ' THR . 2.7 mt -129.54 138.63 51.44 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.133 0.492 . . . . 0.0 110.771 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.454 HG23 ' H ' ' A' ' 138' ' ' ASN . 0.2 OUTLIER -105.76 149.07 26.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.89 178.275 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -50.61 -30.76 14.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.589 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.414 ' N ' ' OE2' ' A' ' 137' ' ' GLU . 1.4 mp0 -64.45 -50.8 66.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.518 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.454 ' H ' HG23 ' A' ' 135' ' ' THR . 0.9 OUTLIER -61.99 -45.5 93.34 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.198 -179.008 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.82 -45.21 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -62.9 -41.0 99.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.579 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -63.6 -40.31 96.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.188 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -62.19 -53.65 52.24 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.114 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -64.26 -38.58 91.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.945 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -59.85 -48.76 80.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.243 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.91 73.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.5 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -60.0 -50.12 75.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.533 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -66.62 -42.03 87.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.383 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -62.39 -43.44 98.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.007 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.03 -49.87 75.66 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.547 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 21.4 m -71.26 -42.8 68.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.578 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -57.53 -49.54 75.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.617 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.22 -44.0 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.3 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -61.62 -43.74 98.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.694 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -62.56 -41.24 98.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.574 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 160' ' ' GLU . 87.8 m -60.92 -44.68 96.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.897 0.38 . . . . 0.0 110.442 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.41 -38.38 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.45 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -57.03 -40.66 77.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.646 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -90.55 5.91 45.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.547 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 71.55 12.42 73.56 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 155' ' ' CYS . 96.9 mt-10 -87.07 148.35 25.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.607 0.242 . . . . 0.0 110.417 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.3 m -95.9 124.15 53.22 Favored Pre-proline 0 CA--C 1.54 0.574 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.723 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.6 162.04 40.72 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.036 1.824 . . . . 0.0 112.296 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.11 179.474 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtp . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.58 124.54 7.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.222 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.01 152.73 19.85 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.281 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.574 ' CD1' ' NH2' ' A' ' 39' ' ' ARG . 46.4 mt -94.91 151.87 18.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.108 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.83 150.92 93.96 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.924 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.26 151.66 76.41 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.528 2.152 . . . . 0.0 111.379 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.455 ' CD1' ' NE2' ' A' ' 66' ' ' GLN . 6.8 mp -106.43 154.7 39.7 Favored Pre-proline 0 N--CA 1.469 0.5 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -67.34 167.93 19.16 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.552 2.168 . . . . 0.0 111.349 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -44.94 133.95 10.79 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.972 1.781 . . . . 0.0 111.797 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.24 118.44 72.48 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.413 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -54.62 153.61 23.15 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 121.793 1.662 . . . . 0.0 112.72 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.13 96.26 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.521 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.416 ' H ' ' HG2' ' A' ' 13' ' ' GLN . 10.6 pt20 -64.37 -17.96 64.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.677 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.424 ' CD2' HD11 ' A' ' 17' ' ' ILE . 3.9 m-30 -97.35 5.57 49.65 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.675 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -58.06 -26.85 63.03 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -66.55 -48.17 70.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.739 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.424 HD11 ' CD2' ' A' ' 14' ' ' PHE . 31.4 pt -85.8 -1.97 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.091 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -53.16 -42.11 65.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.97 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -65.55 -38.57 90.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.236 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -59.86 -61.69 2.43 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -36.11 76.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.516 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -58.88 -45.79 89.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.922 0.391 . . . . 0.0 110.621 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.2 m -63.79 -42.42 97.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.214 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.21 93.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.265 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -58.47 -44.22 89.23 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -70.3 -50.19 41.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' ASP . 13.5 m80 -61.64 -37.14 82.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.316 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -43.89 -39.64 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.675 0.274 . . . . 0.0 110.433 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -66.75 -40.66 88.37 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.675 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.401 ' HG3' HH11 ' A' ' 30' ' ' ARG . 27.7 mtt85 -86.85 -54.05 4.57 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' HIS . 17.8 t0 -127.56 106.02 21.11 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-O 119.723 -0.179 . . . . 0.0 110.999 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.35 -30.65 19.24 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.272 1.315 . . . . 0.0 112.036 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.6 -46.5 94.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.417 HG23 ' CG ' ' A' ' 31' ' ' ASP . 70.3 t -63.03 -45.09 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.408 ' HB1' ' NH1' ' A' ' 39' ' ' ARG . . . -62.29 -38.02 87.77 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.599 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -57.19 -52.77 63.98 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.958 0.408 . . . . 0.0 110.521 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -67.47 -36.66 81.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.06 0.457 . . . . 0.0 110.237 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.3 t -56.94 -44.44 82.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.985 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.574 ' NH2' ' CD1' ' A' ' 4' ' ' LEU . 84.3 mtt85 -63.64 -41.84 98.2 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.403 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.6 tp -50.14 -48.45 53.74 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.247 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -63.25 -44.31 95.55 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.168 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.38 -37.71 78.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.877 0.37 . . . . 0.0 110.427 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.517 ' O ' ' SD ' ' A' ' 47' ' ' MET . 39.0 mtt -61.23 -62.69 1.66 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.19 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -44.15 -44.58 7.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.556 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.3 p -69.4 -35.41 75.74 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.834 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.84 -54.17 29.89 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.153 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -65.86 -37.5 86.34 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.568 0.223 . . . . 0.0 110.784 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -54.56 -47.22 73.52 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.0 mt -72.6 -70.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.523 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.457 ' OD2' ' SG ' ' A' ' 56' ' ' CYS . 28.3 t70 -108.26 113.99 27.52 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.211 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 50' ' ' ASP . 51.1 m -56.05 -108.18 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.533 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -127.46 97.55 4.92 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.535 HG22 ' H ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -106.78 160.26 26.95 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -42.66 -50.45 5.88 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 122.296 1.998 . . . . 0.0 113.517 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.59 -61.93 1.63 Allowed 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.394 0.616 . . . . 0.0 111.066 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.535 ' H ' HG22 ' A' ' 53' ' ' THR . 61.7 m -49.28 -23.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.155 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -50.7 -58.17 6.53 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 121.211 0.529 . . . . 0.0 110.215 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.14 -41.0 91.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.581 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -59.34 -48.39 81.8 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.398 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.62 -41.91 98.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.383 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.4 t -60.67 -45.67 93.24 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.725 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -63.91 -42.5 97.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.414 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.98 -44.13 97.39 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.362 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -40.39 96.17 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.943 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -62.55 -40.93 98.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.614 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.455 ' NE2' ' CD1' ' A' ' 7' ' ' LEU . 55.3 mt-30 -60.25 -44.9 94.86 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.36 -43.93 97.66 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.377 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -36.56 83.59 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.42 -49.69 66.79 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.216 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 70' ' ' LEU . 84.0 mt -63.41 -41.65 98.72 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.901 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -59.62 -47.46 85.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.195 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -69.38 -32.51 71.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.309 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -58.15 -55.94 28.44 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.5 mt -78.02 -42.43 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.77 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.6 -99.8 2.01 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -96.49 89.1 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.693 0.282 . . . . 0.0 110.767 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -126.61 127.38 45.15 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.449 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -50.87 -39.3 53.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.296 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.1 -36.2 74.74 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.728 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.4 mm -89.17 -48.66 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.486 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.2 p -65.14 -43.06 93.12 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.687 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -104.58 115.35 30.19 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.329 0.585 . . . . 0.0 110.712 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.4 ' C ' ' OE1' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -67.98 -37.12 81.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.652 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 pt -56.69 -42.21 76.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.4 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.04 -46.58 93.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 0.0 110.098 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.36 -36.05 92.89 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 49.9 t -65.49 -44.1 88.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.723 0.296 . . . . 0.0 110.772 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.69 95.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.745 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -64.59 -45.6 86.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.64 -44.25 96.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.403 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -63.06 -42.51 99.72 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -63.88 -38.79 92.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.644 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -49.77 76.46 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.682 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.37 -36.72 78.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -62.63 -44.45 96.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.383 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -62.58 -46.84 86.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.904 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 70.6 mtm -66.32 -39.82 89.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.6 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.604 ' CG ' ' NE2' ' A' ' 141' ' ' HIS . 63.3 t80 -59.89 -45.03 93.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.649 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.9 mt -62.77 -40.34 97.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.687 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.24 -46.83 82.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.308 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.38 96.73 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.869 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.35 -43.5 98.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.89 0.376 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -63.5 -40.61 97.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.39 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -60.82 -42.74 98.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.191 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -59.5 -43.0 93.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.057 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -38.76 92.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.349 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.79 -26.11 68.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.348 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.53 ' O ' ' CE2' ' A' ' 110' ' ' PHE . . . 97.38 -7.49 63.93 Favored Glycine 0 N--CA 1.465 0.585 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -84.17 134.55 34.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' A' ' 108' ' ' GLY . 13.5 m-85 -123.89 133.76 53.68 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -148.12 173.5 12.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.344 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -64.18 -18.41 64.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.371 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -63.19 -36.87 85.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.801 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.476 ' O ' ' CD2' ' A' ' 118' ' ' PHE . 61.5 mtp -56.41 -50.35 71.87 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.068 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.7 mm -65.06 -43.68 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.388 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -62.55 -40.66 97.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.346 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 82.7 p -59.67 -48.01 83.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.662 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.476 ' CD2' ' O ' ' A' ' 114' ' ' MET . 52.7 m-85 -66.72 -43.93 82.96 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.679 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -61.71 -48.36 81.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.129 0.49 . . . . 0.0 110.284 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 97.9 m -63.96 -43.73 94.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.56 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.28 -43.77 71.34 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.07 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.2 t -62.17 -42.17 99.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.661 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.8 mp -59.52 -47.44 85.53 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.591 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.07 -40.46 97.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.397 0.617 . . . . 0.0 110.216 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 53.1 mt -58.88 -43.51 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 C-N-CA 120.346 -0.542 . . . . 0.0 109.541 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -59.0 -42.63 90.54 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 121.547 0.689 . . . . 0.0 109.926 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.656 ' O ' HG22 ' A' ' 130' ' ' VAL . 94.2 t -56.66 -31.51 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.599 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 82.5 mt -72.19 -38.24 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.908 0.385 . . . . 0.0 110.924 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.555 HG22 HD21 ' A' ' 134' ' ' LEU . 30.4 p -60.03 -29.61 68.63 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.101 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 127' ' ' VAL . 2.8 m -52.88 -27.07 12.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.925 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -68.39 -12.97 61.94 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.601 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.92 12.81 84.05 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -124.59 86.0 2.5 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.555 HD21 HG22 ' A' ' 129' ' ' THR . 4.4 mt -97.08 138.06 35.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.073 0.463 . . . . 0.0 110.957 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.496 HG23 ' H ' ' A' ' 138' ' ' ASN . 0.2 OUTLIER -103.28 162.28 13.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.336 178.172 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.59 -36.83 81.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.349 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 137' ' ' GLU . 12.2 mp0 -61.59 -47.27 86.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.34 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.496 ' H ' HG23 ' A' ' 135' ' ' THR . 9.1 m-20 -61.64 -46.86 87.95 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.444 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.59 -47.93 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.398 0.618 . . . . 0.0 109.723 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -63.92 -42.22 97.45 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.568 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.604 ' NE2' ' CG ' ' A' ' 98' ' ' PHE . 62.9 t-80 -61.54 -43.7 98.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.022 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.63 HH21 ' NZ ' ' A' ' 143' ' ' LYS . 56.2 ttp180 -59.41 -45.22 92.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.592 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.63 ' NZ ' HH21 ' A' ' 142' ' ' ARG . 41.3 mmtm -63.11 -42.5 99.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.695 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -60.28 -47.76 84.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.343 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.4 87.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.212 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -54.44 45.64 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.754 0.312 . . . . 0.0 111.296 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . 0.411 ' CD1' ' N ' ' A' ' 147' ' ' TRP . 20.0 m0 -66.75 -39.8 88.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.907 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.75 -44.23 96.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.645 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.89 75.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.759 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 97.5 m -64.3 -43.9 93.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.537 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -58.55 -51.07 71.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.739 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.87 -43.17 93.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.454 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -56.39 -49.22 75.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.985 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.452 HD22 ' N ' ' A' ' 154' ' ' ASN . 0.9 OUTLIER -65.02 -39.3 93.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.496 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 45.1 t -56.99 -51.9 67.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.034 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.84 -36.09 82.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.456 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -55.19 -41.66 72.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.581 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -89.99 6.53 41.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.506 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.13 43.51 93.07 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -112.7 153.99 26.84 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.756 0.313 . . . . 0.0 110.448 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 18.3 m -88.36 118.9 69.99 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.515 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.31 165.99 29.74 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 121.894 1.729 . . . . 0.0 112.469 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.455 179.643 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.2 mmm . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.87 149.82 43.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.554 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -133.06 134.12 43.92 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.867 0.365 . . . . 0.0 110.399 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.9 mt -93.26 160.72 14.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.649 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.63 146.8 85.07 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.691 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -71.46 152.17 60.01 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.396 2.064 . . . . 0.0 111.496 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.4 mt -112.98 146.55 35.35 Favored Pre-proline 0 N--CA 1.469 0.502 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -70.77 167.28 26.21 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.055 1.837 . . . . 0.0 112.027 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -44.96 133.4 10.92 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.162 1.908 . . . . 0.0 111.695 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.4 HD22 HE21 ' A' ' 18' ' ' GLN . 1.3 tt -71.98 116.73 51.43 Favored Pre-proline 0 CA--C 1.544 0.726 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.574 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -58.18 150.55 65.19 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.03 1.82 . . . . 0.0 112.195 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.27 -22.45 61.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.578 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -60.53 -38.92 86.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -95.6 21.47 8.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.227 0.537 . . . . 0.0 110.71 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -62.12 -33.64 74.85 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.86 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 t -64.96 -46.52 81.17 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.359 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.3 pt -90.08 18.15 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.4 HE21 HD22 ' A' ' 10' ' ' LEU . 7.2 tt0 -59.84 -44.83 93.88 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.372 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -66.85 -38.98 87.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.007 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -54.4 -64.81 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.358 . . . . 0.0 111.593 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -41.04 97.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.283 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -57.63 -43.1 84.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.431 HG22 ' ND1' ' A' ' 27' ' ' HIS . 19.6 m -61.03 -43.14 99.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.028 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.23 91.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.591 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.474 HE21 ' NH2' ' A' ' 39' ' ' ARG . 78.7 mm-40 -57.07 -46.2 82.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.936 0.398 . . . . 0.0 110.398 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -70.17 -45.19 67.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.434 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.431 ' ND1' HG22 ' A' ' 23' ' ' THR . 32.5 m80 -67.81 -17.75 64.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.259 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -50.46 -27.25 6.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.355 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -97.31 -48.29 5.38 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.324 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -65.92 -43.7 87.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.734 0.302 . . . . 0.0 110.919 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -148.82 87.02 5.58 Favored Pre-proline 0 C--O 1.238 0.448 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.683 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.63 -35.87 79.12 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.727 2.285 . . . . 0.0 112.174 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.81 -45.38 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.528 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.61 -44.4 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.731 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.72 84.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.461 ' CE2' HD11 ' A' ' 67' ' ' LEU . 49.4 t80 -51.39 -56.96 10.34 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.671 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -63.32 -46.99 84.09 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.125 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.5 t -56.75 -38.45 72.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.406 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.614 HH11 ' CD1' ' A' ' 63' ' ' LEU . 3.6 mmt180 -63.69 -41.03 98.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.439 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.57 -44.57 89.8 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.399 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -60.97 -48.83 79.98 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.615 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.08 94.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.95 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.634 ' SD ' HD23 ' A' ' 67' ' ' LEU . 17.6 mtp -62.54 -44.25 96.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -55.61 -47.63 76.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.518 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.0 m -63.38 -43.18 98.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.55 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.03 -57.89 11.9 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.429 -0.669 . . . . 0.0 111.429 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 21.7 ptp -62.51 -34.17 76.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.439 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -60.64 -48.89 79.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 86.3 mt -65.58 -48.79 81.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.859 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 21.0 p30 -146.72 123.07 10.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.466 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 p -49.34 -98.18 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.726 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.71 108.07 4.26 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.492 HG22 ' H ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -89.36 163.98 31.7 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.53 -47.97 18.82 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.12 1.88 . . . . 0.0 113.347 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.417 ' H ' HG23 ' A' ' 53' ' ' THR . 77.3 tt0 -78.85 -63.54 1.39 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.07 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.492 ' H ' HG22 ' A' ' 53' ' ' THR . 9.1 t -43.2 -24.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.796 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -42.6 -42.6 3.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.75 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -64.08 -41.84 97.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.692 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -59.47 -52.07 67.18 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.493 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.84 -42.65 94.74 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.475 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.8 t -59.74 -55.0 39.82 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.257 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -66.07 -39.44 90.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.154 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.614 ' CD1' HH11 ' A' ' 39' ' ' ARG . 45.8 tp -60.82 -43.05 98.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.09 0.471 . . . . 0.0 110.47 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.1 mmt -64.05 -38.71 92.06 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.054 0.454 . . . . 0.0 110.162 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.22 -34.9 77.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.649 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.15 -36.68 82.36 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.496 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.634 HD23 ' SD ' ' A' ' 43' ' ' MET . 0.3 OUTLIER -60.89 -57.62 11.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.177 0.513 . . . . 0.0 111.102 -179.144 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -62.24 -31.11 71.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.877 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.58 79.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.475 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.0 mt -63.43 -42.12 98.7 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.303 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.22 -47.4 84.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.396 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -67.4 -33.79 75.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.661 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.0 -53.96 52.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.754 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.09 -44.22 66.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.641 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.29 -100.97 1.44 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -92.12 88.47 6.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.824 0.345 . . . . 0.0 111.212 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -124.11 131.58 53.56 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.15 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.33 -39.62 95.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.114 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.59 -24.51 66.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mm -90.5 -40.04 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.714 0.292 . . . . 0.0 110.628 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.1 p -76.99 -54.87 6.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.972 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -83.2 121.33 26.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 111.066 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.594 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 2.0 pm0 -72.14 -38.62 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.944 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.414 HG13 ' H ' ' A' ' 85' ' ' VAL . 2.5 pt -60.58 -43.64 95.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.55 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.414 ' H ' HG13 ' A' ' 84' ' ' ILE . 94.8 t -65.06 -44.74 95.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.35 -39.56 97.92 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.294 -1.123 . . . . 0.0 110.294 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 97.6 m -62.46 -38.79 91.16 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.301 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.54 -40.04 95.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.745 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.467 ' NE2' ' CE1' ' A' ' 93' ' ' TYR . 28.2 t60 -61.0 -46.08 92.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.627 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.59 -43.07 98.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.607 ' OE2' HD23 ' A' ' 95' ' ' LEU . 2.5 tm-20 -65.64 -38.47 89.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.954 0.407 . . . . 0.0 109.91 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -62.88 -39.79 95.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.424 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.467 ' CE1' ' NE2' ' A' ' 89' ' ' HIS . 2.0 m-85 -61.52 -44.55 96.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.729 0.299 . . . . 0.0 110.475 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.67 -46.67 83.96 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.342 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.607 HD23 ' OE2' ' A' ' 91' ' ' GLU . 3.7 mm? -64.0 -40.15 95.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.078 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -56.65 -49.09 76.05 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.493 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 66.3 mtm -68.22 -36.42 79.49 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.542 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.447 ' CD2' ' ND1' ' A' ' 141' ' ' HIS . 37.9 t80 -58.78 -49.54 77.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.3 mt -66.64 -40.03 88.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -58.14 -47.28 83.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.516 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.484 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -64.89 -43.78 91.78 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.077 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -59.85 -43.34 94.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.793 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -62.99 -42.54 99.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.509 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.37 -38.97 88.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.575 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -62.49 -46.48 88.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.746 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -28.51 69.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.79 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.9 -11.32 46.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.4 -14.58 60.74 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -76.86 135.81 38.86 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -129.49 131.81 46.76 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.472 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -151.44 -178.17 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.422 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -81.09 -18.86 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.542 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -64.34 -42.42 96.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.435 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 115' ' ' ILE . 11.8 ptm -61.63 -41.2 97.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.974 0.416 . . . . 0.0 110.923 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.428 ' N ' ' CG ' ' A' ' 114' ' ' MET . 95.8 mt -63.37 -43.58 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.919 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -62.82 -37.19 85.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.047 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.1 m -58.57 -45.69 88.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.176 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.484 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 46.5 m-85 -64.53 -43.48 93.89 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.964 0.411 . . . . 0.0 110.331 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -61.34 -43.51 98.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.864 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.9 m -61.67 -42.84 99.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.111 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -53.0 -50.13 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.118 0.485 . . . . 0.0 110.093 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m -59.31 -34.16 71.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.332 0.587 . . . . 0.0 109.959 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.36 -40.0 94.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.234 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 124' ' ' LEU . 0.5 OUTLIER -61.14 -40.07 92.44 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.64 179.466 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 129' ' ' THR . 37.5 mm -58.04 -45.69 88.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.64 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.472 ' O ' ' OG1' ' A' ' 129' ' ' THR . 97.8 m-20 -55.25 -48.82 73.4 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-O 121.453 0.644 . . . . 0.0 110.517 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.619 ' O ' HG22 ' A' ' 130' ' ' VAL . 47.7 t -58.32 -28.37 35.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.949 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.9 mt -83.4 -32.74 9.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.757 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 38.5 p -60.4 -25.89 66.25 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.18 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 127' ' ' VAL . 10.9 m -52.8 -34.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.305 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -67.96 -38.49 82.83 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.88 0.372 . . . . 0.0 111.115 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 103.24 -11.97 55.11 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.431 ' O ' HD22 ' A' ' 134' ' ' LEU . 95.2 mt-10 -91.69 104.45 16.91 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 122.752 -0.263 . . . . 0.0 110.543 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.431 HD22 ' O ' ' A' ' 133' ' ' GLU . 0.9 OUTLIER -125.82 119.13 27.06 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.389 0.614 . . . . 0.0 110.274 179.37 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.5 HG23 ' H ' ' A' ' 138' ' ' ASN . 1.2 t -92.47 165.96 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.813 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.78 -41.16 94.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.983 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -56.66 -48.08 78.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.366 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.5 ' H ' HG23 ' A' ' 135' ' ' THR . 86.9 m-20 -61.22 -40.66 94.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.976 0.417 . . . . 0.0 110.488 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.37 -40.92 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.242 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -58.14 -43.49 87.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.543 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.447 ' ND1' ' CD2' ' A' ' 98' ' ' PHE . 18.1 m-70 -62.96 -43.57 98.42 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 44.5 ttp85 -60.54 -48.02 83.59 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.016 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -67.44 -44.55 78.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.853 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 144' ' ' TYR . 29.7 t80 -60.21 -45.46 93.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.335 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.36 77.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.997 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -64.14 -38.23 90.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -68.39 -54.82 14.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.679 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -67.34 -38.46 84.89 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.916 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.64 -51.25 70.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.838 0.351 . . . . 0.0 110.363 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.1 m -65.26 -41.55 94.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.509 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.457 ' CE1' ' SG ' ' A' ' 155' ' ' CYS . 33.1 t80 -56.72 -47.86 79.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.13 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 86.6 mt -64.38 -43.97 97.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.523 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -58.73 -49.6 77.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.021 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -62.67 -43.94 97.52 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.935 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . 0.457 ' SG ' ' CE1' ' A' ' 151' ' ' TYR . 84.8 m -65.22 -50.64 65.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 156' ' ' LEU . 10.8 tp -64.24 -35.37 80.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.838 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -57.39 -42.0 81.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.267 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -82.59 8.1 12.8 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.461 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 69.13 24.08 76.01 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -105.73 143.02 34.47 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 110.482 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 96.9 m -79.46 118.38 72.13 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.376 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -68.83 159.36 54.12 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 121.387 1.391 . . . . 0.0 112.735 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.175 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 ptp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.79 151.78 29.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.52 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.17 148.11 27.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.258 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mt -85.75 149.98 24.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.192 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.01 161.46 24.76 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -51.98 158.68 4.58 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 122.344 2.029 . . . . 0.0 111.808 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.2 mt -111.65 155.74 42.56 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.4 163.99 7.68 Favored 'Trans proline' 0 N--CA 1.507 2.293 0 C-N-CA 122.272 1.982 . . . . 0.0 111.654 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.06 127.48 19.64 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.482 2.121 . . . . 0.0 111.898 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.5 tp -47.78 111.6 1.78 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.8 146.63 65.87 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 121.473 1.449 . . . . 0.0 111.732 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.31 93.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.005 0.431 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.615 ' H ' ' CD ' ' A' ' 13' ' ' GLN . 5.3 pm0 -66.56 -31.82 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.451 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -85.9 15.63 4.76 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.456 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -57.53 -31.85 66.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.841 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.6 m -59.79 -42.23 92.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.237 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.5 pt -92.74 18.04 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.111 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -54.96 -56.33 20.86 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 120.828 0.347 . . . . 0.0 110.517 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -68.82 -28.72 67.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.362 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -58.72 -63.86 1.14 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.181 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.85 -39.38 94.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.872 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -59.49 -43.62 93.28 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.498 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.3 m -61.44 -41.97 98.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.028 0.442 . . . . 0.0 110.096 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.5 -38.21 90.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.779 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -51.59 69.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.266 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.69 -37.54 86.76 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.329 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -65.04 -31.86 73.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.13 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -47.3 -32.52 4.78 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.421 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -80.27 -49.7 11.22 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.842 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -68.77 -41.75 78.39 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.302 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -154.46 121.53 2.84 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -75.15 -30.78 6.6 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 121.969 1.779 . . . . 0.0 112.637 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.4 t -62.4 -44.85 99.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.799 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.4 t -60.83 -45.12 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.075 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.77 85.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -53.17 -58.3 7.53 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.942 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -63.31 -46.0 88.75 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.065 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.7 t -58.07 -42.83 86.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.084 0.468 . . . . 0.0 110.207 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.687 HH11 HD11 ' A' ' 63' ' ' LEU . 53.7 ttm-85 -61.42 -41.48 97.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.43 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.2 tp -55.39 -44.34 76.04 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.022 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 35.2 t80 -60.0 -48.25 82.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.415 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.59 83.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.938 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.6 mtp -63.09 -64.29 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.655 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -59.53 -39.9 85.45 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.33 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.9 m -61.48 -52.08 66.02 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.81 -35.71 91.25 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 18.5 ttp -63.28 -41.13 98.96 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 120.857 0.361 . . . . 0.0 110.499 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.5 -40.44 91.36 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.357 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.3 mm -41.49 -87.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.821 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -100.63 -115.48 0.17 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.645 0.26 . . . . 0.0 110.443 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.3 m -155.67 -117.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.892 0.377 . . . . 0.0 110.152 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -137.96 96.85 3.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.141 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -106.81 154.46 40.15 Favored Pre-proline 0 N--CA 1.468 0.472 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.047 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -34.18 -30.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.818 2.345 . . . . 0.0 112.247 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' THR . 1.5 tm-20 -84.9 -60.92 1.91 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.446 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.419 ' H ' HG23 ' A' ' 53' ' ' THR . 9.1 t -62.73 -24.23 67.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -42.58 -54.23 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.233 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -64.58 -39.16 93.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.47 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -59.17 -54.69 44.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.506 ' O ' ' SD ' ' A' ' 64' ' ' MET . 80.4 mt -68.34 -43.09 78.24 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.475 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.1 t -61.54 -50.4 72.83 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.064 0.459 . . . . 0.0 111.209 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -65.3 -42.97 92.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.687 HD11 HH11 ' A' ' 39' ' ' ARG . 37.4 tp -62.83 -38.83 92.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.307 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -59.93 -44.01 94.6 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.885 0.374 . . . . 0.0 110.61 178.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.43 -38.76 90.97 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.544 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.02 -45.31 87.13 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.842 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.12 -42.35 98.37 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.285 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -61.73 -37.84 85.7 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.08 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.18 80.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.687 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.3 mt -62.98 -41.96 99.71 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.306 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -61.84 -49.25 77.01 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.389 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -66.1 -40.7 90.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.095 0.474 . . . . 0.0 110.544 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -54.0 -53.75 48.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.522 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.56 HD22 ' ND2' ' A' ' 77' ' ' ASN . 85.7 mt -71.86 -43.36 65.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.997 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.76 -94.94 0.14 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 28.5 p-10 -90.04 84.06 6.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.84 0.353 . . . . 0.0 111.422 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.56 ' ND2' HD22 ' A' ' 74' ' ' LEU . 1.1 m-20 -122.77 136.29 54.82 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.238 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 82' ' ' GLN . 84.4 mt-10 -63.72 -43.98 94.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.739 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.56 95.15 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.838 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.6 mm -70.74 -43.69 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.794 0.331 . . . . 0.0 110.79 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 59.0 p -81.36 -63.58 1.37 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.75 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 78' ' ' GLU . 62.4 mt-30 -76.18 117.26 17.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.023 0.44 . . . . 0.0 110.176 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.598 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -68.22 -40.7 82.03 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.645 -179.505 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.4 HG13 ' H ' ' A' ' 85' ' ' VAL . 3.7 pt -56.19 -42.85 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.469 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.4 ' H ' HG13 ' A' ' 84' ' ' ILE . 96.1 t -65.61 -44.74 93.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.82 0.343 . . . . 0.0 110.505 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.53 -42.83 99.66 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.62 -40.78 84.64 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.67 84.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.331 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -61.9 -50.65 71.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.638 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.74 -42.96 97.79 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.449 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -56.65 -46.33 81.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.932 0.396 . . . . 0.0 110.489 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.91 -39.08 87.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.321 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -47.34 86.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.63 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.93 89.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.16 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.96 -43.83 98.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.469 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.88 -48.17 83.04 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.344 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 69.4 mtm -69.63 -40.09 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.196 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -60.88 -46.52 90.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.678 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.3 -38.17 89.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.416 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -56.66 -49.45 75.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.434 ' HB3' ' CE1' ' A' ' 118' ' ' PHE . . . -65.78 -47.92 73.54 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.417 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -58.1 -41.61 83.88 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.352 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -62.55 -41.68 99.05 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.687 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -68.28 -35.05 77.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.029 0.442 . . . . 0.0 110.281 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.34 -49.42 77.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.558 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -67.52 -26.8 66.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.567 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.95 -22.21 66.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.64 30.71 11.25 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -132.49 140.68 48.46 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.79 0.328 . . . . 0.0 110.525 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -123.77 135.36 53.77 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.453 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -146.83 158.47 43.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.203 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -61.52 -26.28 67.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.402 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -61.01 -33.99 74.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.376 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 88.9 mtp -61.47 -44.84 96.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.809 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.77 -44.58 89.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.938 0.399 . . . . 0.0 110.441 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -64.27 -40.8 96.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.276 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.4 t -61.56 -44.82 96.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.301 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.434 ' CE1' ' HB3' ' A' ' 101' ' ' ALA . 1.1 m-85 -64.96 -42.36 94.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.802 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -60.98 -45.63 94.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.164 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.2 m -62.08 -43.06 99.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.821 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.74 -49.91 71.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.682 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.5 t -58.6 -40.27 82.77 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.113 0.482 . . . . 0.0 111.097 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.95 -40.86 90.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.293 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.7 tp -62.37 -40.8 97.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.626 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.474 ' O ' HG23 ' A' ' 129' ' ' THR . 49.5 mm -53.71 -46.85 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.078 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -55.75 -46.03 77.92 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.261 0.553 . . . . 0.0 109.817 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.619 ' O ' HG22 ' A' ' 130' ' ' VAL . 63.5 t -59.49 -26.71 35.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.372 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 98.6 mt -83.05 -29.99 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 120.951 0.405 . . . . 0.0 110.498 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.608 HG22 HD11 ' A' ' 134' ' ' LEU . 73.1 p -65.85 -30.42 71.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.747 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 127' ' ' VAL . 4.0 m -52.82 -22.76 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.828 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -63.14 -29.87 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.57 -15.57 55.74 Favored Glycine 0 N--CA 1.465 0.604 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -116.18 122.81 46.15 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.608 HD11 HG22 ' A' ' 129' ' ' THR . 1.6 mt -120.31 145.22 47.32 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.051 0.453 . . . . 0.0 110.289 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.454 HG23 ' H ' ' A' ' 138' ' ' ASN . 1.2 t -104.08 160.55 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.537 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -61.59 -41.9 98.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.525 ' O ' ' ND1' ' A' ' 141' ' ' HIS . 93.4 mt-10 -55.42 -49.9 71.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.454 ' H ' HG23 ' A' ' 135' ' ' THR . 98.3 m-20 -64.95 -40.85 95.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 43.6 t -60.93 -47.02 95.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 120.965 0.412 . . . . 0.0 110.002 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -64.77 -44.05 91.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.804 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 137' ' ' GLU . 2.3 m80 -59.7 -38.19 80.92 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -61.54 -54.71 39.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.992 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -67.29 -42.28 84.04 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.928 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.45 -44.71 95.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.42 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.573 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -49.69 75.89 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 111.104 -179.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -72.23 -45.09 61.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.053 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -59.18 -45.97 89.64 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.03 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.35 -53.16 60.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 0.0 111.082 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.6 m -64.23 -41.65 96.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.482 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 80.9 t80 -57.75 -47.71 81.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.855 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.77 -43.09 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.96 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -49.0 77.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.696 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.415 ' N ' HD22 ' A' ' 154' ' ' ASN . 1.3 m120 -65.7 -39.78 91.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.694 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 89.8 m -59.24 -48.1 82.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.202 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.57 -40.63 97.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.394 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -58.62 -45.33 89.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.974 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -74.83 -15.71 60.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.814 0.34 . . . . 0.0 110.777 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 89.48 12.4 62.92 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -88.11 143.75 26.89 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.158 0.504 . . . . 0.0 110.285 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.6 p -79.75 116.48 61.29 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.748 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -52.34 152.9 14.41 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.865 1.71 . . . . 0.0 112.505 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.214 179.578 . . . . . . . . 0 0 . 1 stop_ save_